CAS 57165-06-7 N-(4-amino-3-methoxyphenyl)methanesulfonamide (HCID 290500)

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Basic information

CAS: 57165-06-7
Standard SMILES: COc1cc(NS(C)(=O)=O)ccc1N
InChIKey: JBEUZJVHYAAMNF-UHFFFAOYSA-N
Molecular formula: C8H12N2O3S
Average molar mass: 216.26 g/mol
Monoisotopic mass: 216.05686324

Names & identifiers

Preferred name: N-(4-amino-3-methoxyphenyl)methanesulfonamide
IUPAC: N-(4-amino-3-methoxyphenyl)methanesulfonamide
English name: N-(4-Amino-3-methoxyphenyl)methanesulfonamide
Molecular formula: C8H12N2O3S
Molecular weight: 216.26

Names & synonyms

N-(4-amino-3-methoxyphenyl)methanesulfonamideDTXSID10302825RefChem:827104DTXCID60253959959-427-457165-06-7Methanesulfonamide, N-(4-amino-3-methoxyphenyl)-MFCD00068574NSC154096N-(4-amino-3-methoxy-phenyl)methanesulfonamideSCHEMBL2446173SCHEMBL10505711

Show more names

2-Methoxy-4-Methylsulfonylaniline4-AMINO-3-METHOXYMETHANESULFONANILIDEN-(4-Amino-3-methoxyphenyl)methanesulfonamideQ: What is N-(4-Amino-3-methoxyphenyl)methanesulfonamide Q: What is the CAS Number of N-(4-Amino-3-methoxyphenyl)methanesulfonamide

JBEUZJVHYAAMNF-UHFFFAOYSA-N4-Methanesulphonamido-2-methoxyanilineAKOS005145235NSC-154096SB794044-(Methylsulfonyl)amino-2-methoxyanilineAS-67941DA-42057

Database identifiers

CAS: 57165-06-7
PubChem CID: 290500
DTXSID: DTXSID10302825
EC Number: 959-427-4
Nikkaji

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 89.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 273

Physicochemical properties

Melting point: 144 · 144-145 °C
Boiling point: 379.8 · 379.8±52.0 °C(Predicted)
Density: 1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.53 · 9.53±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Chemistry & industry

Applications

UsesN-(4-Amino-3-methoxyphenyl)methanesulfonamide is a reagent used in organic synthesis. Used in the preparation of novel ametantrone amascrine related hybrids as cytotoxic agents.