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(S)-Carisbamate

CAT: 0572-TRC-C183510-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183510-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
194085-75-1
Synonyms
1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (1S)-; 1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-; Carisbamate; Comfyde; JNJ 10234094; RWJ 333369; YKP 509; (S)-Carisbamate
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NC(=O)OC[C@@H](O)c1ccccc1Cl
Molecular Formula
C9 H10 Cl N O3
Molecular Weight
215.63
InChI
InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
Additionnal Information
IUPAC name: [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Carisbamate

Carisbamate is an organochlorine compound.

CAS Number194085-75-1
PubChem CID6918474
IUPAC Name[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
Molecular FormulaC9H10ClNO3
Molecular Weight215.63
XLogP1
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity200
SMILES
C1=CC=C(C(=C1)[C@@H](COC(=O)N)O)Cl
InChI
InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
InChIKey
OLBWFRRUHYQABZ-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of Carisbamate
CAS: 194085-75-1
CID: 6918474
Formula: C9H10ClNO3
MW: 215.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.63
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass215.0349209
Monoisotopic Mass215.0349209
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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