Basic information
- CAS
582-43-4- Standard SMILES
CNC(C)Cc1ccccc1O- InChIKey
SAHBITMBCTXQOR-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
metabolite of methoxyphenamine
Names & identifiers
- Preferred name
- 2-(2-(Methylamino)propyl)phenol
- IUPAC
- 2-[2-(methylamino)propyl]phenol
- English name
- O-desmethylmethoxyphenamine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
O-Desmethylmethoxyphenamine2-[2-(Methylamino)propyl]phenol582-43-4O-DemethylmethoxyphenaminePHENOL, o-(2-(METHYLAMINO)PROPYL)-NSC-4914381J0X6498GDTXSID7013037472-(2-(Methylamino)propyl)phenolODMPRefChem:462702DTXCID201733777
Show more names
Phenol, 2-[2-(methylamino)propyl]-
850-170-2o-(2-(Methylamino)propyl)phenolNSC 49143BRN 3239444UNII-81J0X6498GPhenol, (2-(2-methylamino)propyl)-Phenol, 2-(2-(methylamino)propyl)-, (1R)-NCIOpen2_004161
Database identifiers
- CAS
582-43-4- PubChem CID
- 11405
- DTXSID
DTXSID701303747- ChEMBL
CHEMBL2007775- UNII
- 81J0X6498G
- EC Number
- 850-170-2
- Nikkaji
- J438.398B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 267.1 · 267.1±15.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.30(Predicted)
- FDA UNII
- 81 J0X6498G · 81J0X6498G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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]
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)
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesO-Desmethylmethoxyphenamine is a known human metabolite of ac1ocg1j.
Suppliers2 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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