4-(Boc-aminomethyl)azepane
Basic information
- CAS
1408074-78-1- Standard SMILES
CC(C)(C)OC(=O)NCC1CCCNCC1- InChIKey
VZWFLFITYZGQKZ-UHFFFAOYSA-N- Molecular formula
- C12H24N2O2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.18377801
Names & identifiers
- Preferred name
- 4-(Boc-aminomethyl)azepane
- IUPAC
- tert-butyl N-(azepan-4-ylmethyl)carbamate
- English name
- 4-(Boc-aminomethyl)azepane
- Molecular formula
- C12H24N2O2
- Molecular weight
- 228.33
Names & synonyms
4-(Boc-aminomethyl)azepane1408074-78-1tert-butyl N-(azepan-4-ylmethyl)carbamateMFCD23106071tert-butyl (azepan-4-ylmethyl)carbamateCarbamic acid, N-[(hexahydro-1H-azepin-4-yl)methyl]-, 1,1-dimethylethyl ester4-[(Boc-amino)methyl]azepaneSCHEMBL25231309DTXSID301139162PB35256SB20821t-Butyl N-(azepan-4-ylmethyl)carbamate
Show more names
AS-78186tert-Butyl [(azepan-4-yl)methyl]carbamateCS-0057593P13589F503740
Database identifiers
- CAS
1408074-78-1- PubChem CID
- 72207682
- DTXSID
DTXSID301139162
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 339.3 · 339.3±15.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…