Basic information
- CAS
91553-11-6- Standard SMILES
CCCCOc1ccc(C(C)N)cc1- InChIKey
ANOJLHQGMTVKNE-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 1-(4-Butoxyphenyl)ethanamine
- IUPAC
- 1-(4-butoxyphenyl)ethanamine
- English name
- BENZYLAMINE, p-BUTOXY-alpha-METHYL-
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
1-(4-butoxyphenyl)ethanamineRefChem:425094819-322-591553-11-61-(4-Butoxyphenyl)ethan-1-amineBRN 2803677p-Butoxy-alpha-methylbenzylamineBENZYLAMINE, p-BUTOXY-alpha-METHYL-DTXSID20919660p-Butoxy-.alpha.-methylbenzylamineRDA55311AKOS000136575
Show more names
Benzenemethanamine, 4-butoxy-α-methyl-Benzenemethanamine, 4-butoxy-.alpha.-methyl-
AKOS021777814benzene, 1-(1-aminoethyl)-4-butoxy-Benzylamine, p-butoxy-.alpha.-methyl-CCG-202938DB-325865CS-0236101EU-0066630EN300-1688987
Database identifiers
- CAS
91553-11-6- PubChem CID
- 56263
- DTXSID
DTXSID20919660- EC Number
- 819-322-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H302-H318-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H227-H302-H318-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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