CAS 37045-73-1 N-(3-Aminophenyl)methanesulfamide (HCID 2734262)

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Basic information

CAS: 37045-73-1
Standard SMILES: CS(=O)(=O)Nc1cccc(N)c1
InChIKey: UQRRCQRFQGOHAI-UHFFFAOYSA-N
Molecular formula: C7H10N2O2S
Average molar mass: 186.23 g/mol
Monoisotopic mass: 186.04629856

Names & identifiers

Preferred name: N-(3-Aminophenyl)methanesulfamide
IUPAC: N-(3-aminophenyl)methanesulfonamide
English name: N-(3-Aminophenyl)methanesulfamide
Molecular formula: C7H10N2O2S
Molecular weight: 186.23

Names & synonyms

N-(3-Aminophenyl)methanesulfamideRefChem:826163627-715-637045-73-1N-(3-Aminophenyl)methanesulfonamide3-(Methylsulfonamido)anilineMethanesulfonamide, N-(3-aminophenyl)-MFCD03094037_x000D_3-(Methylsulfonamido)anilineSCHEMBL399855AS-31132CS-0106391

Show more names

N-(3-Aminophenyl)m-Aminomethylsulfonylanilinen-(3-aminophenyl)methanesulfon3-(Methylsulfonylamino)aniline3-N-(Methylsulfonyl)aminoanilineN-methylsulfonyl-m-phenylenediamine

F2158-0287m-(mesylamino)anilineN-(3-Amino-phenyl)-3-methylsulphonylamino-anilineSCHEMBL9770251SCHEMBL27948008SCHEMBL29794834DTXSID30370182

Database identifiers

CAS: 37045-73-1
PubChem CID: 2734262
DTXSID: DTXSID30370182
EC Number: 627-715-6

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 117 · 117-121 °C (lit.)
Boiling point: 361.8 · 361.8±44.0 °C(Predicted)
Density: 1.408 · 1.408±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.12 · 9.12±0.10(Predicted)
InChI: InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3
InChIKey: UQRRCQRFQGOHAI-UHFFFAOYSA-N
SMILES: CS(NC1=CC=CC(N)=C1)(=O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.