1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine
Basic information
- CAS
750566-27-9- Standard SMILES
NC(Cc1ccccc1)CN1CCCC1- InChIKey
YDLCAQYNXGDYTM-UHFFFAOYSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- 1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine
- IUPAC
- 1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
- English name
- (1-Benzyl-2-pyrrolidin-1-ylethyl)amine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.31
Names & synonyms
750566-27-91-PHENYL-3-(PYRROLIDIN-1-YL)PROPAN-2-AMINERefChem:435619860-474-71-phenyl-3-(1-pyrrolidinyl)-2-propanamine1-phenyl-3-pyrrolidin-1-ylpropan-2-amine1-phenyl-3-pyrrolidin-1-yl-propan-2-amine(S)-ALPHA-(PHENYLMETHYL)-1-PYRROLIDINETHANAMINESCHEMBL3594490AKOS000257279AB22691DB-016810
Show more names
UKRORGSYN-BB BBV-152731(1-Benzyl-2-pyrrolidin-1-ylethyl)amine1-Pyrrolidineethanamine, α-(phenylmethyl)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine 2HCl1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine Dihydrochloride
G80592EN300-9125152(S)-1-Phenyl-3-(pyrrolidin-1-yl)propan-2-amine 2HCl
Database identifiers
- CAS
750566-27-9- PubChem CID
- 9835313
- EC Number
- 860-474-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 332.4 · 332.4±30.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.04 · 10.04±0.20(Predicted)
- Appearance
- Off-white solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H314
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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)
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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H314
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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