o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-
Basic information
- CAS
4081-35-0- Standard SMILES
Oc1ccccc1CN=CCCCCC=NCc1ccccc1O- InChIKey
CRGRLOKWPRTHCA-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-
- IUPAC
- 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
- English name
- N,N'-Bis(salicylidene)-1,6-hexanediamine
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-NSC 91309EINECS 223-807-1BRN 2059585alpha,alpha'-(Hexamethylenedinitrilo)di-o-cresol2,2'-(1,6-Hexanediylbis(nitrilomethylidyne))bisphenol4-08-00-00201 (Beilstein Handbook Reference)DisalicylhexamethylenediaminedisalicylalhexamethylenediamineN,N'-DISALICYLAL-1,6-HEXANEDIAMINEN,Nμ-Hexamethylenebis(salicylimine)N,N'-DISALICYLIDENE-1,6-HEXANEDIAMINE
Show more names
N,N'-Disalicylidenehexamethylenediamineα-Acetolactate Decarboxylase (Maturex L)N,N'-Bis(salicylidene)-1,6-hexanediaminealpha,alpha’-(hexamethylenedinitrilo)di-o-cresoalpha,alpha’-(hexamethylenedinitrilo)di-o-cresol
Database identifiers
- CAS
4081-35-0- PubChem CID
- 20014
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 68 · 68-69 °C(lit.)
- Boiling point
- 505 · 505.0±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 12.73 · 12.73±0.50(Predicted)
- CAS DataBase Reference
- 4081 · 4081-35-0
- EPA Substance Registry System
- 2 · Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- (4081-35-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 1332500 · GP1332500
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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GP1332500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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