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Diphenhydramine hydrochloride

CAT: 0862-GP7830-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GP7830-100gSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147-24-0
EC Number
205-687-2
MDL Number
MFCD00012479
HS Code
29221985
Purity
98.00%
Molecular Formula
C17H21NO · HCl
Molecular Weight
291.82
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Diphenhydramine Hydrochloride

Diphenhydramine hydrochloride appears as white or almost-white crystalline powder. Odorless with a bitter numbing taste. pH (5% aqueous solution) 4-6. (NTP, 1992)

CAS Number147-24-0
PubChem CID8980
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
Molecular FormulaC17H22ClNO
Molecular Weight291.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity211
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
InChIKey
PCHPORCSPXIHLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenhydramine Hydrochloride
CAS: 147-24-0
CID: 8980
Formula: C17H22ClNO
MW: 291.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass291.1389920
Monoisotopic Mass291.1389920
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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