Basic information
- CAS
31121-11-6- Standard SMILES
OCCCNc1ccccc1- InChIKey
GZYBSURBYCLNSM-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 3-(Phenylamino)propan-1-ol
- IUPAC
- 3-anilinopropan-1-ol
- English name
- N-(3-Hydroxypropyl)aniline
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
3-(phenylamino)propan-1-olRefChem:495824677-135-23-Anilino-1-propanol31121-11-63-anilinopropan-1-olN-(3-Hydroxypropyl)anilineMFCD15206074DTXSID30468753-(Phenylamino)-1-propanolNCGC00181149-011-Propanol, 3-(phenylamino)-
Show more names
3-Aniline-1-propanol3-Anilino-1-propanol >N-(3-Hydroxypropyl)aniline3-Anilino-1-propanol, N-(3-Hydroxypropyl)aniline
SR-010009451753-Phenylamino-1-propanol3-anilinopropanol3-phenylaminopropanolN-(Hydroxypropyl)anilineC6Y53KFS4JSCHEMBL26906MLS004754485
Database identifiers
- CAS
31121-11-6- PubChem CID
- 410467
- DTXSID
DTXSID3046875- ChEMBL
CHEMBL2357012- UNII
- C6Y53KFS4J
- EC Number
- 677-135-2
- Nikkaji
- J88.705F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 89.6
Experimental & physicochemical properties
LogP0.57
Physicochemical properties
- Boiling point
- 140 °C/0.4mmHg · 140°C/0.4mmHg(lit.)
- Density
- 1.063 g/cm3 · 1.063 g/cm3(Temp: 26 °C)
- refractive index
- 1.571 · 1.5710-1.5750
- storage temp.
- 0 · 0-10°C
- pka
- 14.88 · 14.88±0.10(Predicted)
- form
- clear liquid
- color
- Light orange to Yellow to Green
- λmax
- 245 nm · 245nm(Hexane)(lit.)
- CAS DataBase Reference
- 31121 · 31121-11-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2922190090 · 2922190090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2922190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers38 total
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Related reactions
7 records
Compound notes
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