Basic information
- CAS
2756832-64-9- Standard SMILES
CC(C)(C)OC(=O)NCCCC(=O)NCCCN- InChIKey
SXWYLPIAPHXOGJ-UHFFFAOYSA-N- Molecular formula
- C12H25N3O3
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.18959167
Names & identifiers
- Preferred name
- tert-butyl N-{3-[(3-aminopropyl)carbamoyl]propyl}carbamate
- IUPAC
- tert-butyl N-[4-(3-aminopropylamino)-4-oxobutyl]carbamate
Names & synonyms
2756832-64-9tert-butyl N-{3-[(3-aminopropyl)carbamoyl]propyl}carbamateSCHEMBL28676999tert-Butyl (4-((3-aminopropyl)amino)-4-oxobutyl)carbamate
Database identifiers
- CAS
2756832-64-9- PubChem CID
- 175193604
- EC Number
- 180-277-3
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
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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