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DL-Histidine monohydrochloride monohydrate

CAT: 0286-H06980-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-H06980-01Size:25 g
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CAS Number
123333-71-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00151028
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

DL-Histidine, monohydrochloride, monohydrate

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CAS Number123333-71-1
PubChem CID517335
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
Molecular FormulaC6H12ClN3O3
Molecular Weight209.63
Topological Polar Surface Area93
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity151
SMILES
C1=C(NC=N1)CC(C(=O)O)N.O.Cl
InChI
InChI=1S/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
InChIKey
CMXXUDSWGMGYLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Histidine, monohydrochloride, monohydrate
CAS: 123333-71-1
CID: 517335
Formula: C6H12ClN3O3
MW: 209.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.63
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass209.0567189
Monoisotopic Mass209.0567189
Topological Polar Surface Area93 Ų
Heavy Atom Count13
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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