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102123-74-0

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CAS No.: 102123-74-0
Name: (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone
Article Data: 26
Molecular Structure:
Molecular Structure of 102123-74-0 ((3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone)
Formula: C15H20ClNO3
Molecular Weight: 297.782
Synonyms: Carbamicacid, [(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [3-chloro-2-oxo-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, (S)-;(3S)-(-)-3-tert-Butoxycarbonylamino-1-chloro-4-phenyl-2-butanone;(3S)-3-(tert-Butoxycarbonylamino)-1-chloro-4-phenyl-2-butanone;N-Boc phenylalanylchloride;
EINECS: 1312995-182-4
Density: 1.15 g/cm3
Melting Point: 103 °C
Boiling Point: 423.882 °C at 760 mmHg
Flash Point: 210.157 °C
PSA: 55.40000
LogP: 3.32120
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Specification

The (3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone is a kind of organic compounds with cas registry number of 102123-74-0. Its systematic name is called tert-butyl [(1S)-1-benzyl-3-chloro-2-oxopropyl]carbamate.

The physical properties about this chemical are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.517; (7)Molar Refractivity: 78.405 cm3; (8)Molar Volume: 259.025 cm3; (9)Surface Tension: 39.907 dyne/cm; (10)Density: 1.15 g/cm3; (11)Flash Point: 210.157 °C; (12)Enthalpy of Vaporization: 67.828 kJ/mol; (13)Boiling Point: 423.882 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1;
(2)InChI: InChI=1/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1;
(3)InChIKey: JAKDNFBATYIEIE-LBPRGKRZBA