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N-Cbz-L-Serine

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Name

N-Cbz-L-Serine

EINECS 214-546-4
CAS No. 1145-80-8 Density 1.354 g/cm3
PSA 95.86000 LogP 0.74920
Solubility N/A Melting Point 116-119 °C(lit.)
Formula C11H13NO5 Boiling Point 487.5 °C at 760 mmHg
Molecular Weight 239.228 Flash Point 248.6 °C
Transport Information N/A Appearance white to cream powder
Safety 24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1145-80-8 (N-Cbz-L-Serine) Hazard Symbols HarmfulXn
Synonyms

L-Serine,N-carboxy-, N-benzyl ester (6CI);Serine, N-carboxy-, N-benzyl ester, L- (8CI);(2S)-2-[(Benzyloxycarbonyl)amino]-3-hydroxypropanoic acid;Benzyloxycarbonyl-L-serine;N-(Benzyloxycarbonyl)-L-serine;N-Carbobenzoxy-L-serine;N-Carbobenzyloxy-L-serine;N-[(Phenylmethoxy)carbonyl]serine;NSC 286604;Z-Ser-OH;

Article Data 58

N-Cbz-L-Serine Specification

The IUPAC name of L-Serine,N-[(phenylmethoxy)carbonyl]- is (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid . With the CAS registry number 1145-80-8, it is also named as DL-Serine, N-[(phenylmethoxy)carbonyl]- ; N-[(Benzyloxy)carbonyl]-L-serine ; N-Carbobenzoxy-DL-serine .

The product is white to cream powder which should be stored at the temperature of -20 °C.  It also must be stored in a tightly closed container which should be stored in a cool, dry, well-ventilated area away from incompatible substances. The product is used for biochemical reagents and peptide synthesis.

This product is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. People must use agent most appropriate to extinguish fire. Such as using water spray, dry chemical, carbon dioxide, or appropriate foam.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.83 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -1.57 ; (4)ACD/LogD (pH 7.4): -2.82 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 7 ; (12)Index of Refraction: 1.572 ; (13)Molar Refractivity: 58.12 cm3 ; (14)Molar Volume: 176.5 cm3 ; (15)Polarizability: 23.04×10-24 cm3 ; (16)Surface Tension: 60.1 dyne/cm ; (17)Enthalpy of Vaporization: 79.35 kJ/mol ; (18)Vapour Pressure: 2.56E-10 mmHg at 25°C ; (19)Rotatable Bond Count: 6 ; (20)Tautomer Count: 2 ; (21)Exact Mass: 239.079373 ; (22)MonoIsotopic Mass: 239.079373 ; (23)Topological Polar Surface Area: 95.9 ; (24)Heavy Atom Count: 17.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CO; InChI: InChI=1/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1.

The L-Serine,N-[(phenylmethoxy)carbonyl]- has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chengnuo New-Tech Co., Ltd., Chengdu Unibiochem Co., Ltd., Complant Ningbo Imp.& Exp. Co., Ltd., Nanjing Panfeng Chemical Co., Ltd., Ningbo Chemchen Bio-tech Co., Ltd. and Shanghai Dere Finechem Co., Ltd..

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