Basic information
- CAS
134240-37-2- Standard SMILES
COc1cccc(CNCc2ccccc2)c1- InChIKey
XCAYUNJSPOEITF-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- Benzyl-(3-methoxy-benzyl)-amine
- IUPAC
- N-[(3-methoxyphenyl)methyl]-1-phenylmethanamine
- English name
- BENZYL-(3-METHOXY-BENZYL)-AMINE
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
134240-37-2Benzyl-(3-methoxy-benzyl)-amineDTXSID70354345RefChem:328755DTXCID40305405N-benzyl-1-(3-methoxyphenyl)methanamineBenzenemethanamine,3-methoxy-N-(phenylmethyl)-N-[(3-methoxyphenyl)methyl]-1-phenylmethanamineN-(Phenylmethyl)-3-methoxybenzenemethanamineSCHEMBL5537826SCHEMBL8880839SCHEMBL30245831
Show more names
ZERENEX E/60272543-Methoxy-N-(phenylmethyl)benzenemethanamineBenzenemethanamine, 3-methoxy-N-(phenylmethyl)-
HMS1704K02N-benzyl-N-(3-methoxybenzyl)amine[(3-methoxyphenyl)methyl]benzylamineMFCD04035007STK511382AKOS000225832SB80500ST064911
Database identifiers
- CAS
134240-37-2- PubChem CID
- 769801
- DTXSID
DTXSID70354345
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 345.6 · 345.6±22.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
赛纳斯特化学（欢迎点击联系）021-60343070
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [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]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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