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L-Alanine,N-(2-carboxyethyl)-N-(phenylsulfonyl)-(CAS No. 5464-42-6) CAS NO.5464-42-6
- Min.Order: 1 Gram
- Payment Terms: L/C,T/T,
- Product Details
Keywords
- L-Alanine,N-(2-carboxyethyl)-N-(phenylsulfonyl)-
- 5464-42-6
- 98%
Quick Details
- ProName: L-Alanine,N-(2-carboxyethyl)-N-(phenyl...
- CasNo: 5464-42-6
- Molecular Formula: C12H15 N O6 S
- 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
Superiority
Details
【Name】
L-Alanine,N-(2-carboxyethyl)-N-(phenylsulfonyl)-
【Iupac name】
2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid
【CAS Registry number】
5464-42-6
【Synonyms】
NSC 15848
【Molecular Formula】
C12H15 N O6 S (Products with the same molecular formula)
【Molecular Weight】
301.3156
【Inchi】
InChI=1/C12H15NO6S/c1-9(12(16)17)13(8-7-11(14)15)20(18,19)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)(H,16,17)
【Canonical SMILES】
CC(C(=O)O)N(CCC(=O)O)S(=O)(=O)C1=CC=CC=C1
Chemical and Physical Properties
【Density】
1.43g/cm3
【Boiling Point】
547.5°Cat760mmHg
【Refractive Index】
1.584
【Flash Point】
284.9°C
【Computed Properties】
Molecular Weight:301.3156 [g/mol]
Molecular Formula:C12H15NO6S
XLogP3-AA:0.6
H-Bond Donor:2
H-Bond Acceptor:7
Rotatable Bond Count:7
Exact Mass:301.062008
MonoIsotopic Mass:301.062008
Topological Polar Surface Area:120
Heavy Atom Count:20
Formal Charge:0
Complexity:449
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:6
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:126