Basic information
- CAS
2140326-67-4- Standard SMILES
CC(C)(C)OC(=O)NCCCNC(=O)CCCN- InChIKey
RZTVTIHLKRTBSD-UHFFFAOYSA-N- Molecular formula
- C12H25N3O3
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.18959167
Names & identifiers
- Preferred name
- tert-butyl N-(3-(4-aminobutanamido)propyl)carbamate
- IUPAC
- tert-butyl N-[3-(4-aminobutanoylamino)propyl]carbamate
- English name
- tert-Butyl N-[3-(4-aminobutanamido)propyl]carbamate
- Molecular formula
- C12H25N3O3
- Molecular weight
- 259.35
Names & synonyms
tert-Butyl N-[3-(4-aminobutanamido)propyl]carbamate2140326-67-4tert-butyl N-(3-(4-aminobutanamido)propyl)carbamateRefChem:895831989-050-0tert-butyl N-[3-(4-aminobutanoylamino)propyl]carbamateQKD32667MFCD31544003BS-352101-(Boc-amino)-3-(4-aminobutanamido)propanetert-ButylN-[3-(4-aminobutanamido)propyl]carbamatetert-Butyl (3-(4-aminobutanamido)propyl)carbamate
Show more names
Carbamic acid, N-[3-[(4-amino-1-oxobutyl)amino]propyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
2140326-67-4- PubChem CID
- 134129018
- EC Number
- 989-050-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 464.5 · 464.5±30.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 12.7 · 12.70±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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…