Basic information
- CAS
101931-31-1- Standard SMILES
COc1ccc(CN)c2ccccc12- InChIKey
IVBVTJRJXOWINB-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 4-Methoxynaphthalen-1-ylmethylamine
- IUPAC
- (4-methoxynaphthalen-1-yl)methanamine
- English name
- 4-METHOXYNAPHTHALEN-1-YLMETHYLAMINE
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
4-METHOXYNAPHTHALEN-1-YLMETHYLAMINERefChem:524786824-590-1101931-31-11-naphthalenemethanamine, 4-methoxy-(4-methoxynaphthalen-1-yl)methanamine4-methoxy-1-naphthalenemethylamine1-(4-METHOXYNAPHTHALEN-1-YL)METHANAMINE4-methoxy-1-naphthylmethylamine1-(aminomethyl)-4-methoxynaphthaleneCHEMBL216518SCHEMBL3971262
Show more names
RARECHEM AL BW 11084-methoxynaphthalenyl-1-methanamine
SCHEMBL5718595DTXSID80275638IVBVTJRJXOWINB-UHFFFAOYSA-N(4-methoxy-1-naphthyl)methanamine4-Methoxy-1-naphthalenemethanamineBEA93131MFCD06213084AKOS013400715
Database identifiers
- CAS
101931-31-1- PubChem CID
- 59139
- DTXSID
DTXSID80275638- ChEMBL
CHEMBL216518- EC Number
- 824-590-1
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 344.3 · 344.3±17.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 9.44 · 9.44±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
Related reactions
6 records
Compound notes
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