Basic information
- CAS
4265-99-0- Standard SMILES
CNCCCCc1ccccc1- InChIKey
TXYKOQZEJZWJEN-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- Methyl(4-phenylbutyl)amine
- IUPAC
- N-methyl-4-phenylbutan-1-amine
- English name
- 1-(N-METHYLAMINO)-4-PHENYLBUTANE
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
methyl(4-phenylbutyl)amineRefChem:818411840-500-34265-99-0N-methyl-4-phenylbutan-1-amine1-(N-methylamino)-4-phenylbutaneN-Methyl-benzenebutanamineN-methyl-4-phenylbutylamineCHEMBL45868Benzenebutanamine, N-methyl-SCHEMBL680531SCHEMBL919488
Show more names
Methyl-(4-phenyl-butyl)-amineSCHEMBL5917175SCHEMBL6892609benzene, (4-methylamino)butyl-DTXSID60902571N-methyl-4-phenyl-butan-1-amineTXYKOQZEJZWJEN-UHFFFAOYSA-NBDBM50330502
Database identifiers
- CAS
4265-99-0- PubChem CID
- 409443
- DTXSID
DTXSID60902571- ChEMBL
CHEMBL45868- EC Number
- 840-500-3
- Nikkaji
- J551.843A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 95.2
Experimental & physicochemical properties
LogP2.76
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers10 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [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]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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