CAS 4101-30-8 Ethanone, 1-(2-amino-4,5-dimethoxyphenyl)- (HCID 602085)

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Basic information

CAS: 4101-30-8
Standard SMILES: COc1cc(N)c(C(C)=O)cc1OC
InChIKey: KGKWXEGYKGTMAK-UHFFFAOYSA-N
Molecular formula: C10H13NO3
Average molar mass: 195.21 g/mol
Monoisotopic mass: 195.08954328

Names & identifiers

Preferred name: Ethanone, 1-(2-amino-4,5-dimethoxyphenyl)-
IUPAC: 1-(2-amino-4,5-dimethoxyphenyl)ethanone
English name: 2'-Amino-4',5'-dimethoxyacetophenone
Molecular formula: C10H13NO3
Molecular weight: 195.22

Names & synonyms

4101-30-81-(2-Amino-4,5-dimethoxyphenyl)ethanoneEthanone, 1-(2-amino-4,5-dimethoxyphenyl)-DTXSID30193999RefChem:592447DTXCID20116490670-284-42'-Amino-4',5'-dimethoxyacetophenone2-Amino-4,5-dimethoxyacetophenone1-(2-amino-4,5-dimethoxyphenyl)ethan-1-oneMFCD000166461-(2-Amino-4,5-dimethoxy-phenyl)-ethanone

Show more names

LABOTEST-BB LT000807082-Acetyl-4,5-dimethoxyanilline1-(2-AMINO-4,5-DIMETHOXYHENYL) ETHANONE2′-Amino-4′,5′-dimethoxyacetophenone, CAS 4101-30-8

2-Acetyl-4,5-dimethoxyanilineSCHEMBL705665STK2279054',5'-Dimethoxy-2'-aminoacetophenoneFS-39301-acetyl-2-amino-4,5-dimethoxybenzeneAC-14530EN300-83234

Database identifiers

CAS: 4101-30-8
PubChem CID: 602085
DTXSID: DTXSID30193999
UNII: AM9NH5Q72D
EC Number: 670-284-4

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 106 · 106-108°C
Boiling point: 343.5 · 343.5±37.0 °C(Predicted)
Density: 1.139 · 1.139
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to crystal
pka: 2.48 · 2.48±0.10(Predicted)
color: Light orange to Yellow to Green
BRN: 391380 · 391380
CAS DataBase Reference: 4101 · 4101-30-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (85.7%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.