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2090-62-2

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Basic Information
CAS No.: 2090-62-2
Name: N-dodecylbenzylamine hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 2090-62-2 (N-dodecylbenzylamine hydrochloride)
Formula: C19H34ClN
Molecular Weight: 311.939
Synonyms: N-Dodecylbenzylamine hydrochloride;
EINECS: 218-239-6
Boiling Point: 369.3 °C at 760 mmHg
Flash Point: 146.2 °C
PSA: 12.03000
LogP: 6.89000
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Specification

The N-Benzyldodecan-1-amine hydrochloride, with the CAS registry number 2090-62-2, is also known as Benzenemethanamine, N-dodecyl-, hydrochloride (1:1). Its EINECS registry number is 218-239-6. This chemical's molecular formula is C19H34ClN and molecular weight is 311.93. What's more, its IUPAC name is the same with its product name.

Physical properties about N-Benzyldodecan-1-amine hydrochloride are: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 196.63; (6)ACD/BCF (pH 7.4): 1126.25; (7)ACD/KOC (pH 5.5): 204.2; (8)ACD/KOC (pH 7.4): 1169.61; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 146.2 °C; (14)Enthalpy of Vaporization: 61.6 kJ/mol; (15)Boiling Point: 369.3 °C at 760 mmHg; (16)Vapour Pressure: 1.2E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N(CCCCCCCCCCCC)Cc1ccccc1
(2) InChI: InChI=1S/C19H33N.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19;/h11-13,15-16,20H,2-10,14,17-18H2,1H3;1H
(3) InChIKey: OTPBAANTTKRERC-UHFFFAOYSA-N