Basic information
- CAS
42450-36-2- Standard SMILES
CC(C)CN1CCC(N)CC1- InChIKey
ZXVWFOMYPHVUGO-UHFFFAOYSA-N- Molecular formula
- C9H20N2
- Average molar mass
- 156.27 g/mol
- Monoisotopic mass
- 156.16264865
Names & identifiers
- Preferred name
- 1-(2-Methylpropyl)piperidin-4-amine
- IUPAC
- 1-(2-methylpropyl)piperidin-4-amine
- English name
- 1-Isobutyl-4-piperidinamine
- Molecular formula
- C9H20N2
- Molecular weight
- 156.27
Names & synonyms
1-(2-methylpropyl)piperidin-4-amineRefChem:422546809-460-41-isobutylpiperidin-4-amine42450-36-21-ISOBUTYL-PIPERIDIN-4-YLAMINE1-Isobutyl-4-piperidinamineMFCD034116041-(2-methylpropyl)-4-piperidylamine4-Amino-1-isobutylpiperidine1-Isobutyl-4-piperidinamine #SCHEMBL3960904
Show more names
N-isobutyl-4-PiperidinaMine1-Isobutyl-4-aminopiperidineN-Isobutyl-4-amine piperidin1-(2-methylpropyl)-4-Piperidinamine4-Piperidinamine, 1-(2-methylpropyl)-
CHEMBL4548063SCHEMBL27745906DTXSID40338713ZXVWFOMYPHVUGO-UHFFFAOYSA-NSBB024585AKOS005167510AT42454SB37150
Database identifiers
- CAS
42450-36-2- PubChem CID
- 550780
- DTXSID
DTXSID40338713- ChEMBL
CHEMBL4548063- EC Number
- 809-460-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 81.5 · 81.5-82.5℃ (11.5 Torr)
- Density
- 0.887 · 0.887±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.49 · 10.49±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H227
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335-H227
- Precautionary statements
- P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
济南明觉生物医药科技有限公司18053168494; 15628895690 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海卡恩医药科技有限公司021-34979681; 17701870669 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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