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L-Histidine dihydrochloride

CAT: 0286-H06930-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-H06930-01Size:5 g
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CAS Number
1007-42-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00066569
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Histidine Monohydrochloride
CAS Number1007-42-7
PubChem CID66091
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
Molecular FormulaC6H10ClN3O2
Molecular Weight191.61
Topological Polar Surface Area92
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H/t5-;/m0./s1
InChIKey
QZNNVYOVQUKYSC-JEDNCBNOSA-N
Chemical Structure
2D Structure
2D structure of Histidine Monohydrochloride
CAS: 1007-42-7
CID: 66091
Formula: C6H10ClN3O2
MW: 191.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.61
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass191.0461543
Monoisotopic Mass191.0461543
Topological Polar Surface Area92 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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