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3-Aminophenyl dimethylsulphamate

HCID 99436
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Basic information

CAS
25743-99-1
Standard SMILES
CN(C)S(=O)(=O)Oc1cccc(N)c1
InChIKey
YQIMOZJQJCPIHG-UHFFFAOYSA-N
Molecular formula
C8H12N2O3S
Average molar mass
216.26 g/mol
Monoisotopic mass
216.05686342

Names & identifiers

Preferred name
3-Aminophenyl dimethylsulphamate
IUPAC
(3-aminophenyl) N,N-dimethylsulfamate
English name
3-aminophenyl dimethylsulphamate
Molecular formula
C8H12N2O3S
Molecular weight
216.26

Names & synonyms

3-Aminophenyl dimethylsulphamate3-aminophenyl dimethylsulfamate25743-99-1NSC-222668(3-aminophenyl) N,N-dimethylsulfamateEINECS 247-227-3NSC222668UD3K6VZ6WWSCHEMBL11317824DTXSID90180426YQIMOZJQJCPIHG-UHFFFAOYSA-NNSC 222668
Show more names
Dimethylsulfamic acid 3-aminophenyl ester
NS00027957Sulfamic acid, N,N-dimethyl-, 3-aminophenyl ester

Database identifiers

CAS
25743-99-1
PubChem CID
99436
DTXSID
DTXSID90180426
UNII
UD3K6VZ6WW
EC Number
247-227-3
Nikkaji
J287.314A

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
81 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
271

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