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(S)-β-amino-1H-imidazole-4-propanol dihydrochloride (1596-64-1)

Identification
Name:(S)-β-amino-1H-imidazole-4-propanol dihydrochloride
Synonyms:1H-Imidazole-4-propanol,b-amino-, dihydrochloride, (S)-;1H-Imidazole-4-propanol, b-amino-, dihydrochloride, (bS)- (9CI); Imidazole-4-propanol, b-amino-, dihydrochloride, L- (8CI); (S)-Histidinoldihydrochloride; L-(-)-Histidinoldihydrochloride; L-Histidinol dihydrochloride
CAS:1596-64-1
EINECS: 216-482-2
Molecular Formula: C6H11N3O?2(HCl)
Molecular Weight: 214.09
InChI: InChI=1/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
Molecular Structure: (C6H11N3O?2(HCl)) 1H-Imidazole-4-propanol,b-amino-, dihydrochloride, (S)-;1H-Imidazole-4-propanol, b-amino-, dihydroch...
Properties
Transport:2735
Flash Point: 229.3 ºC
Boiling Point: 455.5 ºC
Density:g/cm3
Alpha:-3 º (C=2, H2O 24 ºC)
Solubility:Soluble
Appearance:white crystalline powder
Specification:

The cas register number of L-(-)-Histidinol dihydrochloride is 1596-64-1. It also can be called as (S)-beta-Amino-1H-imidazole-4-propanol dihydrochloride and the IUPAC Name about this chemical is 2-amino-3-(1H-imidazol-5-yl)propan-1-ol dihydrochloride. It belongs to the Amino hydrochloride.

Physical properties about L-(-)-Histidinol dihydrochloride are: (1)ACD/LogP: -1.61; (2)ACD/LogD (pH 5.5): -5.37; (3)ACD/LogD (pH 7.4): -3.27; (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: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 30.29Å2; (12)Flash Point: 229.3 °C; (13)Enthalpy of Vaporization: 75.37 kJ/mol; (14)Boiling Point: 455.5 °C at 760 mmHg; (15)Vapour Pressure: 4.34E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.OC[C@@H](N)Cc1cncn1
(2)InChI: InChI=1/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1
(3)InChIKey: FRCAFNBBXRWXQA-XRIGFGBMBR
(4)Std. InChI: InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1
(5)Std. InChIKey: FRCAFNBBXRWXQA-XRIGFGBMSA-N

Flash Point: 229.3 ºC
Storage Temperature: 2-8°C
Safety Data
Hazard Symbols Xi:Irritant