Benzyl(2-methylpropyl)amine
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Basic information
- CAS
42882-36-0- Standard SMILES
CC(C)CNCc1ccccc1- InChIKey
ZELJLECFTLYULH-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- Benzyl(2-methylpropyl)amine
- IUPAC
- N-benzyl-2-methylpropan-1-amine
- English name
- CHEMBRDG-BB 4014220
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
benzyl(2-methylpropyl)amineRefChem:566885877-406-7n-benzyl-2-methylpropan-1-amine42882-36-0N-Benzyl-2-methyl-1-propanamineCHEMBRDG-BB 4014220N-benzyl-2-methyl-propan-1-amineMFCD00972061benzylisobutylamineN-benzylisobutylamineN-benzyl-N-isobutylamine
Show more names
AKOS JY2080587UKRORGSYN-BB BBV-121332N-(2-Methylpropyl)benzenemethanamineBenzenemethanamine, N-(2-methylpropyl)-N-benzyl-2-methylpropan-1-amine(SALTDATA: FREE)
(2-Methylpropyl)(phenylmethyl)aminebenzyl-isobutyl-amineSCHEMBL1040808SCHEMBL1043443SCHEMBL1913535SCHEMBL2018449SCHEMBL8123246SCHEMBL9034542
Database identifiers
- CAS
42882-36-0- PubChem CID
- 211729
- DTXSID
DTXSID60276885- EC Number
- 877-406-7
- Nikkaji
- J1.626.554C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 220 · 220-224 °C
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.77 · 9.77±0.29(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H314-H412
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2921490090 · 2921490090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H227-H314-H412
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
5 records
Compound notes
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