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114365-04-7

4-(PYRROLIDIN-1-YL)BENZYLAMINE, also known as 1-(phenylmethyl)pyrrolidin-1-amine, is an organic compound belonging to the benzenoids category, which are characterized by the presence of one or more benzene rings. It features a benzylamine group attached to a pyrrolidine ring, and its molecular formula is C12H16N2 with a molecular weight of 188.269 g/mol. This chemical is typically found in solid form at room temperature, is highly soluble in water, and is considered potentially hazardous due to its chemical properties.

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  • 114365-04-7 Structure

  • Basic information

    1. Product Name: 4-(PYRROLIDIN-1-YL)BENZYLAMINE
    2. Synonyms: ART-CHEM-BB B022103;[4-(1-PYRROLIDINYL)PHENYL]METHANAMINE;[4-(1-PYRROLIDINYL)PHENYL]METHYLAMINE;4-PYRROLIDINOBENZYLAMINE;4-(PYRROLIDIN-1-YL)BENZYLAMINE;AKOS B022103;[4-(Pyrrolidin-1-yl)phenyl]methylamine 97%;4-(Pyrrolidin-1-yl)benzylamine 97%
    3. CAS NO:114365-04-7
    4. Molecular Formula: C11H16N2
    5. Molecular Weight: 176.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114365-04-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 327 °C at 760 mmHg
    3. Flash Point: 132.1 °C
    4. Appearance: /
    5. Density: 1.075 g/cm3
    6. Vapor Pressure: 0.000208mmHg at 25°C
    7. Refractive Index: 1.584
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    9. Solubility: N/A
    10. PKA: 9.66±0.10(Predicted)
    11. CAS DataBase Reference: 4-(PYRROLIDIN-1-YL)BENZYLAMINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(PYRROLIDIN-1-YL)BENZYLAMINE(114365-04-7)
    13. EPA Substance Registry System: 4-(PYRROLIDIN-1-YL)BENZYLAMINE(114365-04-7)

  • Safety Data

    1. Hazard Codes: C,Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114365-04-7(Hazardous Substances Data)

114365-04-7 Usage

Uses

Used in Pharmaceutical Industry:
4-(PYRROLIDIN-1-YL)BENZYLAMINE is used as a reagent for the synthesis of various pharmaceutical and medicinal compounds. Its unique structure and properties make it a valuable component in the development of new drugs and therapeutic agents.
Used in Medicinal Chemistry:
4-(PYRROLIDIN-1-YL)BENZYLAMINE is used as a building block in the design and synthesis of novel bioactive molecules. Its versatile chemical structure allows for the creation of diverse compounds with potential applications in the treatment of various diseases and medical conditions.
Used in Chemical Research:
4-(PYRROLIDIN-1-YL)BENZYLAMINE serves as a subject of study in chemical research, where its properties, reactivity, and potential applications are explored. This research contributes to the understanding of its behavior in different chemical environments and its potential use in various chemical processes.
Used in Hazardous Chemical Management:
Due to its potentially hazardous nature, 4-(PYRROLIDIN-1-YL)BENZYLAMINE is used in the development of safety protocols and guidelines for handling and storage. This ensures the protection of workers and the environment from potential risks associated with its chemical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 114365-04-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,3,6 and 5 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 114365-04:
(8*1)+(7*1)+(6*4)+(5*3)+(4*6)+(3*5)+(2*0)+(1*4)=97
97 % 10 = 7
So 114365-04-7 is a valid CAS Registry Number.
InChI:InChI=1/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2

114365-04-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-(Pyrrolidin-1-yl)phenyl)methanamine

1.2 Other means of identification

Product number -
Other names (4-pyrrolidin-1-ylphenyl)methanamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114365-04-7 SDS

114365-04-7Relevant articles and documents

NOVEL BRONCHODILATING DIAZAHETEROARYLS

-

Page/Page column 34, (2012/03/08)

The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

"TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION"

-

, (2011/10/13)

The invention discloses compounds of formula I wherein Y is a group of formula A, B, C, D, or E: and W, Q, n, R1, R2, R3, U1-U5, J and K have the meanings given in the description. The compounds of formula I are TRPV1 antagonists and are useful as active

TRPV1 vanilloid receptor antagonists with a bicyclic portion

-

, (2011/11/01)

The invention discloses compounds of formula I wherein Y s selected from a group of formula and W, Q, n, R1, R2, R3, U1-U5 have the meanings given in the description. The compounds of formula I are TRPV1 antagonists and are useful as active ingredients of pharmaceutical compositions for the treatment of pain and other conditions ameliorated by the inhibition of the vanilloid receptor TRPV1. 1.

NOVEL BRONCHODILATING DIAZAHETEROARYLS

-

Page/Page column 77, (2010/09/17)

The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists

Perner, Richard J.,DiDomenico, Stanley,Koenig, John R.,Gomtsyan, Arthur,Bayburt, Erol K.,Schmidt, Robert G.,Drizin, Irene,Guo, Zhu Zheng,Turner, Sean C.,Jinkerson, Tammie,Brown, Brian S.,Keddy, Ryan G.,Lukin, Kurill,McDonald, Heath A.,Honore, Prisca,Mikusa, Joe,Marsh, Kennan C.,Wetter, Jill M.,St. George, Karen,Jarvis, Michael F.,Faltynek, Connie R.,Lee, Chih-Hung

, p. 3651 - 3660 (2008/02/12)

The synthesis and structure-activity relationship of 1-(aryl)-3-(4-(amino) benzyl)urea transient receptor potential vanilloid 1 (TRPV1) antagonists are described. A variety of cyclic amine substituents are well tolerated at the 4-position of the benzyl group on compounds containing either an isoquinoline or indazole heterocyclic core. These compounds are potent antagonists of capsaicin activation of the TRPV1 receptor in vitro. Analogues, such as compound 45, have been identified that have good in vivo activity in animal models of pain. Further optimization of 45 resulted in compound 58 with substantially improved microsome stability and oral bioavailability, as well as in vivo activity.

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