- Product Details
Keywords
- 2-acetamidotetradecanoic acid
- 5440-51-7
- 98%
Quick Details
- ProName: 2-(acetylamino)tetradecanoic acid 544...
- CasNo: 5440-51-7
- Molecular Formula: C16H31NO3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: According to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
【Name】
2-(acetylamino)tetradecanoic acid
【CAS Registry number】
5440-51-7
【Synonyms】
2-(acetylamino)tetradecanoic acid
NSC20177
AC1L5FVD
AC1Q5KZP
2-acetamidotetradecanoic acid
AR-1C8404
NSC-20177
【Molecular Formula】
C16H31NO3 (Products with the same molecular formula)
【Molecular Weight】
285.4222
【Inchi】
InChI=1/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-13-15(16(19)20)17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)
【Canonical SMILES】
CCCCCCCCCCCCC(C(=O)O)NC(=O)C
【MOL File】
5440-51-7.mol
Chemical and Physical Properties
【Density】
0.972g/cm3
【Boiling Point】
463.7°C at 760 mmHg
【Refractive Index】
1.466
【Flash Point】
234.2°C
【Computed Properties】
Molecular Weight:285.42224 [g/mol]
Molecular Formula:C16H31NO3
XLogP3-AA:5.3
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:13
Tautomer Count:2
Exact Mass:285.230394
MonoIsotopic Mass:285.230394
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Formal Charge:0
Complexity:266
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:14
Conformer Sampling RMSD:1.4
CID Conformer Count:58