5-(Boc-amino)-2-methylaniline

HCID 24699786
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Basic information

CAS
660838-05-1
Standard SMILES
Cc1ccc(NC(=O)OC(C)(C)C)cc1N
InChIKey
HOVDUPXBRBXFBP-UHFFFAOYSA-N
Molecular formula
C12H18N2O2
Average molar mass
222.28 g/mol
Monoisotopic mass
222.13682782

Names & identifiers

Preferred name
5-(Boc-amino)-2-methylaniline
IUPAC
tert-butyl N-(3-amino-4-methylphenyl)carbamate
English name
(3-Amino-4-methyl-phenyl)-carbamic acid tert-butyl ester
Molecular formula
C12H18N2O2
Molecular weight
222.28

Names & synonyms

5-(BOC-AMINO)-2-METHYLANILINERefChem:530794809-526-2660838-05-1tert-Butyl (3-amino-4-methylphenyl)carbamateN1-Boc-4-methyl-1,3-phenylenediamine(3-AMINO-4-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTERtert-butyl N-(3-amino-4-methylphenyl)carbamateMFCD04114554TERT-BUTYL 3-AMINO-4-METHYLPHENYLCARBAMATEtert-butyl N-(3-amino-4-methyl-phenyl)carbamateCarbamic acid, (3-amino-4-methylphenyl)-, 1,1-dimethylethyl ester
Show more names
MASIT-002tert-butyl N-(3-amino-4-methyl-phenyl)carbamate - [B87187]Carbamic acid, N-(3-amino-4-methylphenyl)-, 1,1-dimethylethyl ester
SCHEMBL714227SCHEMBL30078221DTXSID90640838HOVDUPXBRBXFBP-UHFFFAOYSA-NAKOS000179335AB18561t-Butyl 3-amino-4-methylphenylcarbamateAS-36704

Database identifiers

CAS
660838-05-1
PubChem CID
24699786
DTXSID
DTXSID90640838
EC Number
809-526-2

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Boiling point
308.6 · 308.6±35.0 °C(Predicted)
Density
1.128 · 1.128±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
13.57 · 13.57±0.70(Predicted)
Appearance
Off-white to brown Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers39 total

上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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