Basic information
- CAS
136329-39-0- Standard SMILES
CN[C@@H](CN1CCCC1)c1ccccc1- InChIKey
ZINZYRWMDNKTBY-ZDUSSCGKSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- methyl((1R)-1-phenyl-2-(pyrrolidin-1-yl)ethyl)amine
- IUPAC
- (1R)-N-methyl-1-phenyl-2-pyrrolidin-1-ylethanamine
- English name
- (R)-(-)-N-Methyl-1-phenyl-2-(1-pyrrolidino)ethylamine
- Molecular formula
- C13H20N2
- Molecular weight
- 204.32
Names & synonyms
methyl[(1R)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]aminemethyl((1R)-1-phenyl-2-(pyrrolidin-1-yl)ethyl)amineRefChem:818201679-120-6136329-39-0(R)-N-Methyl-1-phenyl-2-(pyrrolidin-1-yl)ethanamineMFCD01318625(1R)-N-methyl-1-phenyl-2-pyrrolidin-1-ylethanamine(S)-Methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-amine DiHCl(R)-N-Methyl-a-phenyl-1-pyrrolidineethanamine1-Pyrrolidineethanamine, N-methyl-alpha-phenyl-, (alphaR)-(R)-(-)-N-METHYL-1-PHENYL-2-(1-PYRROLIDINO)ETHYLAMINE
Show more names
(1-PHENYL-2-PYRROLIDINYLETHYL)METHYLAMINEMETHYL-(1-PHENYL-2-PYRROLIDIN-1-YL-ETHYL)-AMINE(R)-N-METHYL-1-PHENYL-2-(1-PYRROLIDINO)ETHYLAMINE1-Pyrrolidineethanamine, N-methyl-a-phenyl-, (R)-1-Pyrrolidineethanamine, N-methyl-α-phenyl-, (αR)-(1R)-N-methyl-1-phenyl-2-(1-pyrrolidinyl)ethanamine(R)-1-(METHYLAMINO)-1-PHENYL-2-(1-PYRROLIDINYL)ETHANE(R)-(-)-N-Methyl-1-phenyl-2-(1-pyrrolidine)ethylamine
((1R)-1-phenyl-2-pyrrolidinylethyl)methylamineSCHEMBL5559775SBB059553AKOS016014940ST093596EN300-6482177(1R)-N-methyl-1-phenyl-2-pyrrolidin-1-yl-ethanamine(R)-N-methyl-1-phenyl-2-(pyrrolidin-1-yl)ethan-1-amine
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
- 169
Physicochemical properties
- Boiling point
- 296.1 · 296.1±20.0 °C(Predicted)
- Density
- 0 · 0,974 g/cm3
- refractive index
- 1.5245 · 1.5245
- storage temp.
- 2 · 2-8°C
- pka
- 9.88 · 9.88±0.20(Predicted)
- Sensitive
- Air Sensitive
- BRN
- 4842022 · 4842022
- CAS DataBase Reference
- 136329 · 136329-39-0(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 34 · 34-52
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · 2735
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 2735
- hs_code
- 2933998090
- risk_code
- 34-52
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers19 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
凯试（上海）科技有限公司021-50135380 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [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]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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