DL-Histidine monohydrochloride monohydrate supplier

Name
DL-Histidine monohydrochloride monohydrate
EINECS 229-266-8
CAS No. 123333-71-1
Density
Solubility 0.1 G/ML
Melting Point 253 °C (dec.)(lit.)
Formula C₆H₉N₃O₂^.HCl^.H₂O
Boiling Point 458.9 °C at 760 mmHg
Molecular Weight 209.63
Flash Point 231.3 °C
Transport Information
Appearance White crystallize powder
Safety 24/25-36/37-26-22
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms DL-Histidine,monohydrochloride, monohydrate;Histidine, monohydrochloride, monohydrate (9CI);
PSA 101.23000
LogP 0.80210

DL-Histidine monohydrochloride monohydrate Specification

The DL-Histidine monohydrochloride monohydrate, with the CAS registry number 123333-71-1, has the systematic name of histidine hydrochloride hydrate. And the molecular formula of the chemical is C₆H₉N₃O₂^.HCl^.H₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.54; (4)ACD/LogD (pH 7.4): -3.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.36 Å²; (13)Flash Point: 231.3 °C; (14)Enthalpy of Vaporization: 75.79 kJ/mol; (15)Boiling Point: 458.9 °C at 760 mmHg; (16)Vapour Pressure: 3.25E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Avoid contact with skin and eyes; Wear suitable protective clothing and gloves; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(O)C(N)Cc1cncn1.O
(2)InChI: InChI=1/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2
(3)InChIKey: CMXXUDSWGMGYLZ-UHFFFAOYAK

Product Name

DL-Histidine monohydrochloride monohydrate

DL-Histidine monohydrochloride monohydrate Specification

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