Basic information
- CAS
884507-40-8- Standard SMILES
CNCc1ccc(CN2CCCC2)cc1- InChIKey
PJTVZWBZDHZISX-UHFFFAOYSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
- IUPAC
- N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
- English name
- N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.31
Names & synonyms
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamineRefChem:830470641-332-1884507-40-8N-Methyl-1-(4-(pyrrolidin-1-ylmethyl)phenyl)methanamineN-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamineMFCD08060619CHEMBL4451147orb3031017SCHEMBL1934394DTXSID50594621PJTVZWBZDHZISX-UHFFFAOYSA-N
Show more names
N-{4-[(Methylamino)methyl]benzyl]pyrrolidineBenzenemethanamine, N-methyl-4-(1-pyrrolidinylmethyl)-
Fr13026BDBM50520363SBB093362AKOS009084692PS-5614DB-077302CS-0317010F721957
Database identifiers
- CAS
884507-40-8- PubChem CID
- 18525869
- DTXSID
DTXSID50594621- ChEMBL
CHEMBL4451147- EC Number
- 641-332-1
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 167
Physicochemical properties
- Boiling point
- 290.9 · 290.9±20.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- form
- liquid
- pka
- 9.77 · 9.77±0.20(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 301 · P301+P312-P302+P352-P361+P364
- HS Code
- 2933998090 · 2933998090
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P301+P312-P302+P352-P361+P364
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
Loading…