Basic information
- CAS
91189-05-8- Standard SMILES
CNCC1CCN(Cc2ccccc2)C1- InChIKey
ZSYALYBRMVKYAS-UHFFFAOYSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264864
Names & identifiers
- Preferred name
- 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
- IUPAC
- 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
- English name
- (1-Benzyl-pyrrolidin-3-ylmethyl)-methyl-amine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.31
Names & synonyms
91189-05-81-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine(1-Benzyl-pyrrolidin-3-ylmethyl)-methyl-amine[(1-benzylpyrrolidin-3-yl)methyl](methyl)amineMFCD064110571-(1-benzylpyrrolidin-3-yl)-N-methyl-methanamineN-methyl-1-(phenylmethyl)-3-pyrrolidinemethanamineSCHEMBL4923829DTXSID00405334ZSYALYBRMVKYAS-UHFFFAOYSA-NRDA18905AKOS005287904
Show more names
CHEMBRDG-BB 4003809(1-benzylpyrrolidin-3-yl)-N-methylmethanamineN-Methyl-1-benzyl-3-pyrrolidinemethanamine 2HCl3-Pyrrolidinemethanamine, N-methyl-1-(phenylmethyl)-1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine(SALTDATA: FREE)
BS-38590DA-32218CS-0264909EN300-95255(1-benzyl-pyrrolidin-3-ylmethyl)-methyl amineB64502F95337N-Methyl-1-benzyl-3-pyrrolidinemethanamine diHCl
Database identifiers
- CAS
91189-05-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 285.1 · 285.1±13.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.4 · 10.40±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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
13 records
Compound notes
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