Basic information
- CAS
42498-33-9- Standard SMILES
Cc1cccc(NC(C)(C)C)c1- InChIKey
HSWVXQUVZGSPNW-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- N-tert-butyl-3-methylaniline
- IUPAC
- N-tert-butyl-3-methylaniline
- English name
- N-(1,1-Dimethylethyl)-3-methylbenzamide
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
N-tert-butyl-3-methylanilineAniline, 3-methyl-N-tert-butyl-SCHEMBL8248072SCHEMBL9468309DTXSID80962531HSWVXQUVZGSPNW-UHFFFAOYSA-NN-tert-Butyl-3-methylbenzamideN-(1,1-Dimethylethyl)-3-methylbenzamideBenzamide, N-(1,1-dimethylethyl)-3-methyl-
Database identifiers
- CAS
42498-33-9- PubChem CID
- 39217
- DTXSID
DTXSID80962531
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- CAS DataBase Reference
- 42498 · 42498-33-9
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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