Basic information
- CAS
3568-26-1- Standard SMILES
CC(O)CC=Nc1cccc2ccccc12- InChIKey
AHTUGIHOEPIEAY-UHFFFAOYSA-N- Molecular formula
- C14H15NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.1153641
Names & identifiers
- Preferred name
- 2-Butanol, 4-(1-naphthalenylimino)-
- IUPAC
- 4-naphthalen-1-yliminobutan-2-ol
- English name
- Aldol-1-naphthylamine
- Molecular formula
- C14H15NO
- Molecular weight
- 213.27
Names & synonyms
2-Butanol, 4-(1-naphthalenylimino)-DTXSID50863203RefChem:467357DTXCID108118613568-26-1Aldol-1-naphthylamine4-naphthalen-1-yliminobutan-2-ol4-(1-Naphthylimino)butan-2-ol1-(3-HYDROXY-1-BUTYLIDENEIMINO)NAPHTHALENET1YY97MQ1JAntioxidant APUNII-T1YY97MQ1J
Show more names
Aldol-1-naphtylamine4-(1-Naphtylimino)-2-butanolalpha-)(condensationproductsN-(3-Hydroxybutylidene)-1-naphthalenamine
NSC70083EINECS 222-663-7NAFTON4-(1-NAPHTHYLIMINO)-2-BUTANOL4-[(naphthalen-1-yl)imino]butan-2-olACETO ANNOCRAC CSCHEMBL6072646
Database identifiers
- CAS
3568-26-1- PubChem CID
- 107124
- DTXSID
DTXSID50863203- UNII
- T1YY97MQ1J
- EC Number
- 222-663-7
- Nikkaji
- J40.489F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 392.1 · 392.1±34.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 14 · 14+-.0.20(Predicted)
- Indirect Additives used in Food Contact Substances
- 1 · 1-(3-HYDROXY-1-BUTYLIDENEIMINO)NAPHTHALENE
- FDA 21 CFR
- 177.26 · 177.2600
- FDA UNII
- 1 YY97MQ1J · T1YY97MQ1J
- EPA Substance Registry System
- 2 · 2-Butanol, 4-(1-naphthalenylimino)- (3568-26-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butanol, 4-(1-naphthalenylimino)-: INACTIVE
Suppliers3 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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