1-(Boc-amino)-3-(isopropylamino)propane
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Basic information
- CAS
1229627-05-7- Standard SMILES
CC(C)NCCCNC(=O)OC(C)(C)C- InChIKey
SFFZEOKALAZPET-UHFFFAOYSA-N- Molecular formula
- C11H24N2O2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.18377801
Names & identifiers
- Preferred name
- 1-(Boc-amino)-3-(isopropylamino)propane
- IUPAC
- tert-butyl N-[3-(propan-2-ylamino)propyl]carbamate
- English name
- 1-(Boc-aMino)-3-(isopropylaMino)propane
- Molecular formula
- C11H24N2O2
- Molecular weight
- 216.32
Names & synonyms
1229627-05-71-(Boc-amino)-3-(isopropylamino)propanetert-butyl (3-(isopropylamino)propyl)carbamateMFCD12828784tert-butyl N-[3-(propan-2-ylamino)propyl]carbamateCarbamic acid, N-[3-[(1-methylethyl)amino]propyl]-, 1,1-dimethylethyl esterTERT-BUTYL N-[3-(ISOPROPYLAMINO)PROPYL]CARBAMATEtert-butyl N-{3-[(propan-2-yl)amino]propyl}carbamateSCHEMBL15597154AKOS017560686AS-73247DA-17412
Show more names
SY018096CS-0209498tert-butyl(3-(isopropylamino)propyl)carbamateF387501TERT-BUTYL 3-(ISOPROPYLAMINO)PROPYLCARBAMATE
Database identifiers
- CAS
1229627-05-7- PubChem CID
- 53415288
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 309 ℃ · 309℃
- Density
- 0.933 · 0.933
- Flash point
- 140 ℃ · 140℃
- pka
- 12.8 · 12.80±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2924190090 · 2924190090
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
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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