Basic information
- CAS
140837-33-8- Standard SMILES
CC1CCCCN1CCC#N- InChIKey
SJFHISLGBSSBQE-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
- Monoisotopic mass
- 152.13134852
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-2-pipecoline
- IUPAC
- 3-(2-methylpiperidin-1-yl)propanenitrile
- English name
- 1-(2-Cyanoethyl)-2-pipecoline
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
1-(2-Cyanoethyl)-2-pipecolineRefChem:421936679-639-83-(2-methylpiperidin-1-yl)propanenitrile140837-33-83-(2-Methylpiperidino)propionitrileMFCD001913971-(2-Cyanoethyl)-2-methylpiperidineSCHEMBL16604390SJFHISLGBSSBQE-UHFFFAOYSA-DTXSID00341627ALBB-004603
Show more names
Cyanoethylpipecoline1-CYANOETHYL-2-METHYLPIPERIDINE1-(2-CYANOETHYL)-2-PIPECOLINE 95+%1-(2-Cyanoethyl)-2-methylpiperidine >
1-Piperidinepropanenitrile, 2-methyl-AKOS000188460AKOS016345384SB416783-(2-methyl-1-piperidyl)propanenitrileAS-91833SY0540973-(2-Methyl-1-piperidinyl)propanenitrile #
Database identifiers
- CAS
140837-33-8- PubChem CID
- 574530
- DTXSID
DTXSID00341627- EC Number
- 679-639-8
- Nikkaji
- J29.225G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 123 °C · 123°C 2mm
- Density
- 0 · 0,94 g/cm3
- refractive index
- 1.469 · 1.4690-1.4720
- pka
- 8.36 · 8.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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
- ridadr
- 3276
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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