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L-(-)-Histidinol dihydrochloride

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Name

L-(-)-Histidinol dihydrochloride

EINECS 216-482-2
CAS No. 1596-64-1 Density N/A
PSA 74.93000 LogP 1.57610
Solubility N/A Melting Point 198-201 °C (dec.)(lit.)
Formula C6H11N3O.2(HCl) Boiling Point 455.5 °C at 760 mmHg
Molecular Weight 214.095 Flash Point 229.3 °C
Transport Information N/A Appearance white to slightly beige crystalline powder
Safety 26-36-37/39-36/37-22 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 1596-64-1 (L-(-)-Histidinol dihydrochloride) Hazard Symbols IrritantXi,Xn
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;

Article Data 4

L-(-)-Histidinol dihydrochloride 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

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