N-(1-aminopropan-2-yl)aniline
Basic information
- CAS
42164-53-4- Standard SMILES
CC(CN)Nc1ccccc1- InChIKey
CNZJSNWTEPRULC-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- N-(1-aminopropan-2-yl)aniline
- IUPAC
- 2-N-phenylpropane-1,2-diamine
- English name
- N-(1-aminopropan-2-yl)aniline
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
N-(1-aminopropan-2-yl)aniline42164-53-4RefChem:823529888-837-5N2-phenylpropane-1,2-diamine2-N-phenylpropane-1,2-diamineSCHEMBL3110474SBA16453MFCD09880476AKOS006312994SY193810EN300-95958
Show more names
1,2-Propanediamine, N2-phenyl-
G59216Z1198235985
Database identifiers
- CAS
42164-53-4- PubChem CID
- 12693166
- EC Number
- 888-837-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 29 Torr)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.10(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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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
Suppliers
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Related reactions
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Compound notes
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