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16992-51-1

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Basic Information
CAS No.: 16992-51-1
Name: Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI)
Article Data: 5
Molecular Structure:
Molecular Structure of 16992-51-1 (Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI))
Formula: C14H13ClN4
Molecular Weight: 288.43
Synonyms: Androsta-1,4-diene-3b,17b-diol (8CI);
Density: 1.36 g/cm3
Boiling Point: 514.6 °C at 760 mmHg
Flash Point: 265 °C
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    Molecular Structure of Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) (CAS NO.16992-51-1): Empirical Formula: C14H13ClN4 Molecular Weight: 272.7328 ACD/LogP: 1.69 of Rule of 5 Violations: 0 ACD/LogD (pH 5.5): 1.2 ACD/LogD (pH 7.4): 1.68 ACD/

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Chemistry

Molecular Structure of Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) (CAS NO.16992-51-1):

Empirical Formula: C14H13ClN4
Molecular Weight: 272.7328
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.2
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 5.5): 3.69
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 5.5): 64.36
ACD/KOC (pH 7.4): 193.61
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 32.89 Å2
Index of Refraction: 1.686
Molar Refractivity: 76.04 cm3
Molar Volume: 199.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.36 g/cm3
Flash Point: 265 °C
Enthalpy of Vaporization: 78.63 kJ/mol
Boiling Point: 514.6 °C at 760 mmHg
Vapour Pressure: 1.06E-10 mmHg at 25°C

Specification

  Androsta-1,4-diene-3,17-diol,(3b,17b)- (9CI) , with CAS number of 16992-51-1, can be called 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)- .