N-(3-Methoxybenzyl)propan-1-amine
Basic information
- CAS
764651-75-4- Standard SMILES
CCCNCc1cccc(OC)c1- InChIKey
UDBXJQKNGYJALH-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- N-(3-Methoxybenzyl)propan-1-amine
- IUPAC
- N-[(3-methoxyphenyl)methyl]propan-1-amine
- English name
- N-(3-METHOXYBENZYL)PROPAN-1-AMINE
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
764651-75-4N-(3-METHOXYBENZYL)PROPAN-1-AMINEN-[(3-methoxyphenyl)methyl]propan-1-amine[(3-methoxyphenyl)methyl](propyl)amine(3-methoxybenzyl)propylamineMFCD07410194SCHEMBL10384415DTXSID80406001N-(3-methoxybenzyl)-N-propylamineAKOS000168540EN300-32184C78449
Show more names
ZERENEX E/6028651CHEMBRDG-BB 9070465UKRORGSYN-BB BBV-060367N-propyl-N-(3-methoxybenzyl)amineN-(3-METHOXYPHENYLMETHYL)PROPYLAMINE3-Methoxy-N-propylbenzenemethanamine(3-Methoxyphenyl)methyl](propyl)amineBenzenemethanamine, 3-methoxy-N-propyl-
AN-465/42518809
Database identifiers
- CAS
764651-75-4- PubChem CID
- 4722293
- DTXSID
DTXSID80406001- Nikkaji
- J2.363.255A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.6 Torr)
- Density
- 0.953 · 0.953±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.67 · 9.67±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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