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2-Hydroxyethyl carbamate

CAS No.:
5395-01-7
Catalog Number:
AG0033CS
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
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Product Description
Catalog Number:
AG0033CS
Chemical Name:
2-Hydroxyethyl carbamate
CAS Number:
5395-01-7
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
MDL Number:
MFCD01738425
IUPAC Name:
2-hydroxyethyl carbamate
InChI:
InChI=1S/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)
InChI Key:
BTDQXGUEVVTAMD-UHFFFAOYSA-N
SMILES:
NC(=O)OCCO
EC Number:
226-405-4
UNII:
MXE9F638CE
NSC Number:
3139
Properties
Complexity:
63.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.043g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
105.093g/mol
Monoisotopic Mass:
105.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Weak carcinogenicity of 2-hydroxyethyl carbamate in strain A mice: indication that this is not a proximal metabolite of ethyl carbamate. Cancer letters 19940227
Properties