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173898-21-0

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Basic Information
CAS No.: 173898-21-0
Name: Benzamide, 4-(1-aminoethyl)-, (R)-
Article Data: 2
Molecular Structure:
Molecular Structure of 173898-21-0 (Benzamide, 4-(1-aminoethyl)-, (R)-)
Formula: C9H12N2O
Molecular Weight: 164.207
Synonyms: Benzamide, 4-(1-aminoethyl)-, (R)-;
Density: 1.129 g/cm3
Boiling Point: 326.759 °C at 760 mmHg
Flash Point: 151.419 °C
PSA: 69.11000
LogP: 2.20580
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Specification

The Benzamide,4-(1-aminoethyl)-, (R)- (9CI), with the CAS registry number 173898-21-0, is also known as Benzamide, 4-(1-aminoethyl)-, (R)-. It belongs to the product category of API intermediates. This chemical's molecular formula is C9H12N2O and molecular weight is 164.2044. What's more, its systematic name is 4-[(1R)-1-Aminoethyl]benzamide.

Physical properties about Benzamide,4-(1-aminoethyl)-, (R)- (9CI) are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.103; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 69.11 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 48.271 cm3; (13)Molar Volume: 145.378 cm3; (14)Polarizability: 19.136×10-24 cm3; (15)Surface Tension: 49.699 dyne/cm; (16)Density: 1.129 g/cm3; (17)Flash Point: 151.419 °C; (18)Enthalpy of Vaporization: 56.9 kJ/mol; (19)Boiling Point: 326.759 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](c1ccc(cc1)C(=O)N)N
(2)InChI: InChI=1/C9H12N2O/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H2,11,12)/t6-/m1/s1
(3)InChIKey: PXJMJWOLRCACSF-ZCFIWIBFBR