Basic information
- CAS
1197006-60-2- Standard SMILES
NC(c1ccccc1)C1CCOCC1- InChIKey
NZONHTNKOWGTPR-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 1-(Oxan-4-yl)-1-phenylmethanamine
- IUPAC
- oxan-4-yl(phenyl)methanamine
- English name
- oxan-4-yl(phenyl)methanamine
- Molecular formula
- C12H17NO
- Molecular weight
- 191.26948
Names & synonyms
1197006-60-21-(OXAN-4-YL)-1-PHENYLMETHANAMINERefChem:428128820-035-2oxan-4-yl(phenyl)methanaminephenyl(tetrahydro-2H-pyran-4-yl)methanamineMFCD17243742(oxan-4-yl)(phenyl)methanamineCHEMBL4581841SCHEMBL12789414NZONHTNKOWGTPR-UHFFFAOYSA-NXXB00660
Show more names
2H-Pyran-4-methanamine, tetrahydro-α-phenyl-
AKOS012201459phenyl(tetrahydropyran-4-yl)methanamineTetrahydropyran-4-yl(phenyl)methanamineSY189933DB-173214CS-0139235EN300-78380(tetrahydro-2H-pyran-4-yl)(phenyl)methanamine
Database identifiers
- CAS
1197006-60-2- PubChem CID
- 54593643
- ChEMBL
CHEMBL4581841- EC Number
- 820-035-2
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 160
Physicochemical properties
- Boiling point
- 307 · 307.0±15.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.94 · 8.94±0.10(Predicted)
- Appearance
- Colorless to off-white Solid-liquid mixture
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-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
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)
Aggregated GHS information provided per 2 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)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers8 total
韶远科技(上海)有限公司4000665055 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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