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81851-30-1 | Sulfamic acid, butyl ester
CAS No: 81851-30-1 Catalog No: AG00567L MDL No:
Product Description
Catalog Number:
AG00567L
Chemical Name:
Sulfamic acid, butyl ester
CAS Number:
81851-30-1
Molecular Formula:
C4H11NO3S
Molecular Weight:
153.2000
IUPAC Name:
butyl sulfamate
InChI:
InChI=1S/C4H11NO3S/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChI Key:
BZTLBVUBTRSJCL-UHFFFAOYSA-N
SMILES:
CCCCOS(=O)(=O)N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.046g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.196g/mol
Monoisotopic Mass:
153.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase inhibitors: inhibition of transmembrane, tumor-associated isozyme IX, and cytosolic isozymes I and II with aliphatic sulfamates. | Journal of medicinal chemistry 20031204 |
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