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Basic Information
CAS No.: 17016-92-1
Name: DL-ALANINOL HYDROCHLORIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 17016-92-1 (DL-ALANINOL HYDROCHLORIDE)
Formula: C3H10ClNO
Molecular Weight: 111.572
Synonyms: 1-Propanol, 2-amino-, hydrochloride;2-Aminopropan-1-ol hydrochloride;DL-Alaninol HCL;DL-Alaninol hydrochloride;AC1L38CF;AR-1C5502;
EINECS: 228-215-7
Boiling Point: 174.5 °C at 760 mmHg
Flash Point: 83.9 °C
Appearance: Off-white to tan crystal
PSA: 46.25000
LogP: 0.82820
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Specification

The 1-Propanol, 2-amino-, hydrochloride (1:1) with CAS registry number of 17016-92-1 is also known as DL-Alaninol hydrochloride. The IUPAC name is 2-Aminopropan-1-ol hydrochloride. In addition, the formula is C3H10ClNO and the molecular weight is 111.57. What's more, this chemical is a off-white to tan crystal.

Physical properties about 1-Propanol, 2-amino-, hydrochloride (1:1) are: (1)ACD/LogP: -0.96; (2)ACD/LogD (pH 5.5): -4.05; (3)ACD/LogD (pH 7.4): -3.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 83.9 °C; (12)Enthalpy of Vaporization: 47.83 kJ/mol; (13)Boiling Point: 174.5 °C at 760 mmHg; (14)Vapour Pressure: 0.373 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Cl.OCC(N)C
2. InChI: InChI=1/C3H9NO.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H
3. InChIKey: RPDODBFXWRWFAH-UHFFFAOYAP
4. Std. InChI: InChI=1S/C3H9NO.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H
5. Std. InChIKey: RPDODBFXWRWFAH-UHFFFAOYSA-N