Basic information
- CAS
169749-99-9- Standard SMILES
CN[C@H]1CCN(Cc2ccccc2)C1- InChIKey
UEAYAIWNQQWSBK-LBPRGKRZSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- (3S)-1-benzyl-N-methylpyrrolidin-3-amine
- IUPAC
- (3S)-1-benzyl-N-methylpyrrolidin-3-amine
- English name
- (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.29
Names & synonyms
(3S)-1-benzyl-N-methylpyrrolidin-3-amineRefChem:401196674-584-6169749-99-9(S)-1-benzyl-3-methylaminopyrrolidine(S)-N-Benzyl-3-methylaminopyrrolidine(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidineMFCD00191310(S)-1-benzyl-N-methylpyrrolidin-3-amine(3S)-N-methyl-1-(phenylmethyl)-3-pyrrolidinamine(3S)-1-benzyl-N-methyl-pyrrolidin-3-amine3-Pyrrolidinamine, N-methyl-1-(phenylmethyl)-, (3S)-
Show more names
(3S)-1-Benzyl-N-methyl-3-pyrrolidinamine(3S)-N-Methyl-1-(benzyl)-3-pyrrolidinamine(S)-(1-Benzyl-pyrrolidin-3-yl)-methyl-amine(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine >(3S)-N-Methyl-1-(phenylmethyl)-3-pyrrolidinamine
SCHEMBL242759DTXSID50439220UEAYAIWNQQWSBK-LBPRGKRZSA-NAKOS006343943AC-3122CS-W002495(3S) -1-benzyl-3-methylaminopyrrolidineCS-11049
Database identifiers
- CAS
169749-99-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 273.1 · 273.1±33.0 °C(Predicted)
- Density
- 0 · 0,99 g/cm3
- refractive index
- 3 ° · 3 ° (C=10, EtOH)
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 10.16 · 10.16±0.20(Predicted)
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 169749 · 169749-99-9(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-52
- RIDADR
- 2735 · 2735
- HazardClass
- 8 · 8
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Corr. 1C (33.3%)；Skin Irrit. 2 (66.7%)；Skin Sens. 1 (33.3%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)
Safety data
- ridadr
- 2735
- hs_code
- 2933998090
- risk_code
- 22-52
- Signal word
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers67 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
2 records
Compound notes
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