Basic information
- CAS
56814-11-0- Standard SMILES
Nc1ccccc1C(=O)NC1CCCCC1- InChIKey
AHWGBTCRPVCUBP-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 2-Amino-N-cyclohexylbenzamide
- IUPAC
- 2-amino-N-cyclohexylbenzamide
- English name
- 2-Amino-N-cyclohexylbenzamide
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
2-Amino-N-cyclohexylbenzamide56814-11-0DTXSID70341997RefChem:85351DTXCID60293077673-042-6AHWGBTCRPVCUBP-UHFFFAOYSA-NMFCD00060339Benzamide, 2-amino-N-cyclohexyl-(2-aminophenyl)-N-cyclohexylcarboxamide2-Amino-N-cyclohexyl-benzamideMaybridge1_003298
Show more names
ZERO/006440ZINC00128301AKOS BBB/033ARONIS006299A2345/00990236-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid
Oprea1_673490SCHEMBL2154833SCHEMBL7095610HMS550N20ALBB-012960BBL001797SBB018375STK125810
Database identifiers
- CAS
56814-11-0- PubChem CID
- 577661
- DTXSID
DTXSID70341997- EC Number
- 673-042-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 153 · 153-156°C
- Boiling point
- 421.5 · 421.5±28.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 14.31 · 14.31±0.20(Predicted)
- CAS DataBase Reference
- 56814 · 56814-11-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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