Products Categories
CAS No.: | 77215-55-5 |
---|---|
Name: | (S)-3-AMINO-2-CBZ-AMINO-PROPIONIC ACID TERT-BUTYL ESTER |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C15H22N2O4 |
Molecular Weight: | 294.351 |
Synonyms: | 1,1-Dimethylethyl3-amino-N-[(phenylmethoxy)carbonyl]-L-alaninate;tert-Butyl (2S)-3-amino-2-benzyloxycarbonylaminopropionate; |
Density: | 1.142 g/cm3 |
Boiling Point: | 444.312 °C at 760 mmHg |
Flash Point: | 222.512 °C |
PSA: | 90.65000 |
LogP: | 2.67300 |
What can I do for you?
Get Best Price
The L-Alanine, 3-amino-N-[(phenylmethoxy)carbonyl]-, 1, 1-dimethylethyl ester, with the CAS registry number 77215-55-5, is also known as tert-Butyl 3-amino-N-[(benzyloxy)carbonyl]-L-alaninate. This chemical's molecular formula is C15H22N2O4 and molecular weight is 294.35. What's more, its IUPAC name is tert-Butyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate.
Physical properties about L-Alanine, 3-amino-N-[(phenylmethoxy)carbonyl]-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 43; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 366; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 90.65 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 78.836 cm3; (15)Molar Volume: 257.681 cm3; (16)Polarizability: 31.253×10-24 cm3; (17)Surface Tension: 43.377 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 222.512 °C; (20)Enthalpy of Vaporization: 70.211 kJ/mol; (21)Boiling Point: 444.312 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)CN
(2) InChI: InChI=1/C15H22N2O4/c1-15(2,3)21-13(18)12(9-16)17-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,19)/t12-/m0/s1
(3) InChIKey: GUTOOFAUODQZRP-LBPRGKRZBA