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19996-87-3

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Basic Information
CAS No.: 19996-87-3
Name: 1-Phenyl-3-(pyrrolidin-3-yl)urea
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 19996-87-3 (1-Phenyl-3-(pyrrolidin-3-yl)urea)
Formula: C11H15 N3 O
Molecular Weight: 205.26
Synonyms: Urea,1-phenyl-3-(3-pyrrolidinyl)- (8CI)
Density: 1.17 g/cm3
Boiling Point: 335 °C at 760 mmHg
Flash Point: 135.6 °C
Appearance: Off white or white powder
PSA: 56.65000
LogP: 1.90330
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Chemistry

Molecule structure of 1-Phenyl-3-(3-pyrrolidinyl)urea (CAS NO.19996-87-3):

IUPAC Name: 1-Phenyl-3-pyrrolidin-3-ylurea
Molecular Weight: 205.2563 [g/mol]
Molecular Formula: C11H15N3O 
Index of Refraction: 1.59
Molar Refractivity: 58.9 cm3
Molar Volume: 174.4 cm3
Polarizability: 23.35×10-24 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.17 g/cm3
Flash Point: 135.6 °C
Enthalpy of Vaporization: 57.8 kJ/mol
Boiling Point: 335 °C at 760 mmHg
Vapour Pressure: 0.000123 mmHg at 25 °C
XLogP3: 0.9
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 205.121512
MonoIsotopic Mass: 205.121512
Topological Polar Surface Area: 53.2
Heavy Atom Count: 15
Complexity: 214
Canonical SMILES: C1CNCC1NC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C11H15N3O/c15-11(14-10-6-7-12-8-10)13-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H2,13,14,15)
InChIKey of 1-Phenyl-3-(3-pyrrolidinyl)urea (CAS NO.19996-87-3): GWEMXUIOODAQAE-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Journal of Medicinal Chemistry. Vol. 11, Pg. 1034, 1968

Specification

 1-Phenyl-3-(3-pyrrolidinyl)urea (CAS NO.19996-87-3) is also named as 1-Phenyl-3-(3-pyrrolidinyl)-urea ; BRN 0393920 ; Urea, 1-phenyl-3-(3-pyrrolidinyl)- .