Tert-butyl 4-amino-5-methylazepane-1-carboxylate
Basic information
- CAS
1228453-28-8- Standard SMILES
CC1CCN(C(=O)OC(C)(C)C)CCC1N- InChIKey
LXHKJNUHNLXPDI-UHFFFAOYSA-N- Molecular formula
- C12H24N2O2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.18377801
Names & identifiers
- Preferred name
- Tert-butyl 4-amino-5-methylazepane-1-carboxylate
- IUPAC
- tert-butyl 4-amino-5-methylazepane-1-carboxylate
- English name
- Tert-Butyl 4-Amino-5-Methylazepane-1-Carboxylate
- Molecular formula
- C12H24N2O2
- Molecular weight
- 228.33
Names & synonyms
tert-butyl 4-amino-5-methylazepane-1-carboxylate1228453-28-8SCHEMBL2376108DTXSID501159508MFCD27997439AKOS024226654AS-67834CS-0035768tert-butyl4-amino-5-methylazepane-1-carboxylatetert-butyl 4-amino-5-methyl-azepane-1-carboxylate1,1-Dimethylethyl 4-aminohexahydro-5-methyl-1H-azepine-1-carboxylateTert-Butyl 4-Amino-5-Methylazepane-1-Carboxylate(WX601216)
Show more names
1H-Azepine-1-carboxylic acid, 4-aminohexahydro-5-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1228453-28-8- PubChem CID
- 67385239
- DTXSID
DTXSID501159508
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
1 records
Compound notes
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