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81881-74-5

Basic Information
CAS No.: 81881-74-5
Name: C-(1H-INDOL-5-YL)-METHYLAMINE
Article Data: 19
Molecular Structure:
Molecular Structure of 81881-74-5 (C-(1H-INDOL-5-YL)-METHYLAMINE)
Formula: C9H10N2
Molecular Weight: 146.192
Synonyms: ((Indol-5-yl)methyl)amine;(1H-Indol-5-ylmethyl)amine;1-(1H-Indol-5-yl)methanamine;5-(Aminomethyl)indole;Indole-5-methanamine;
Density: 1.199 g/cm3
Melting Point: 114-118 °C
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 183.3 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 41.81000
LogP: 2.32690
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Specification

The 1H-Indole-5-methanamine, with the CAS registry number 81881-74-5, is also known as 1-(1H-Indol-5-yl)methanamine. It belongs to the product categories of Pharmacetical; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical's molecular formula is C9H10N2 and molecular weight is 146.19. What's more, its IUPAC name is called 1H-Indol-5-ylmethanamine.

Physical properties about 1H-Indole-5-methanamine are: (1) ACD/LogP: 1.01; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.03; (4) ACD/LogD (pH 7.4): -0.98; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 2; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 8.17 Å2; (13) Index of Refraction: 1.697; (14) Molar Refractivity: 46.98 cm3; (15) Molar Volume: 121.8 cm3; (16) Surface Tension: 58.1 dyne/cm; (17) Density: 1.199 g/cm3; (18) Flash Point: 183.3 °C; (19) Enthalpy of Vaporization: 57.87 kJ/mol; (20) Boiling Point: 335.6 °C at 760 mmHg; (21) Vapour Pressure: 0.000118 mmHg at 25 °C; (22) Melting Point: 114-118 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it may cause damage to health and it is harmful if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ccc2c1ccn2)CN
(2) InChI: InChI=1/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2
(3) InChIKey: UAYYSAPJTRVEQA-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12077