Basic information
- CAS
1466528-35-7- Standard SMILES
Cc1c(Br)cccc1[C@@H](C)NC(=O)OC(C)(C)C- InChIKey
XKOOYFHELMABPJ-SNVBAGLBSA-N- Molecular formula
- C14H20BrNO2
- Average molar mass
- 314.22 g/mol
- Monoisotopic mass
- 313.06774
Names & identifiers
- Preferred name
- (R)-tert-Butyl 1-(3-bromo-2-methylphenyl)ethylcarbamate
- IUPAC
- tert-butyl N-[(1R)-1-(3-bromo-2-methylphenyl)ethyl]carbamate
- English name
- Carbamic acid, N-[(1R)-1-(3-bromo-2-methylphenyl)ethyl]-, 1,1-dimethylethyl ester
- Molecular formula
- C14H20BrNO2
- Molecular weight
- 314.22
Names & synonyms
SCHEMBL15336461SCHEMBL29824350XKOOYFHELMABPJ-SNVBAGLBSA-NAT36240(R)-tert-Butyl 1-(3-bromo-2-methylphenyl)ethylcarbamateTERT-BUTYL (R)-(1-(3-BROMO-2-METHYLPHENYL)ETHYL)CARBAMATEtert-Butyl (S)-(1-(3-bromo-2-methylphenyl)ethyl)carbamate(S)-tert-Butyl-(1-(3-bromo-2-methylphenyl)ethyl)carbamateCarbamic acid, N-[(1R)-1-(3-bromo-2-methylphenyl)ethyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1466528-35-7- PubChem CID
- 89862982
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 392.9 · 392.9±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.46(Predicted)
Chemistry & industry
Suppliers8 total
上海皓竹医药科技有限公司18912729622 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
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上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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