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Hydroxy-2-phenylpropyl Carbamate

CAT: 0572-TRC-H951245-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H951245-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25451-53-0
Synonyms
2-Phenyl-1,3-propanediol 1-Carbamate; 2-Phenyl-1,3-propanediol Monocarbamate; 2-Phenyl-1,3-propanediol Monocarbamate; 2-Phenyl-1,3-propanediyl Monocarbamate; Sch 54388; W 873; USP Felbamate Related Compound A;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NC(OCC(C1=CC=CC=C1)CO)=O
Molecular Formula
C10H13NO3
Molecular Weight
195.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Phenyl-1,3-propanediol monocarbamate

2-Phenyl-1,3-propanediol monocarbamate is a member of benzenes.

CAS Number25451-53-0
PubChem CID213060
IUPAC Name(3-hydroxy-2-phenylpropyl) carbamate
Molecular FormulaC10H13NO3
Molecular Weight195.21
XLogP0.6
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity178
SMILES
C1=CC=C(C=C1)C(CO)COC(=O)N
InChI
InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)
InChIKey
JQVQIZWJBLGVRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-1,3-propanediol monocarbamate
CAS: 25451-53-0
CID: 213060
Formula: C10H13NO3
MW: 195.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.21
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.08954328
Monoisotopic Mass195.08954328
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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