Related Searches: L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-, L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, L-Threonine,N-[(1,1-dimethylethoxy)carbonyl]-, L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-, L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, View all

L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-(CAS No. 23680-31-1)

L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)- C15H21NO5 (cas 23680-31-1) Molecular Structure

23680-31-1 Structure

Identification and Related Records

【Name】
L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
【CAS Registry number】
23680-31-1
【Synonyms】
Boc-Ser(Bzl)-OH
Alanine,3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L- (8CI)
(2S)-3-(Benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoicacid
BOC-O-benzylserine
N-(tert-Butoxycarbonyl)serine benzyl ether
N-tert-Butoxycarbonyl-O-benzyl-L-serine
N-tert-Butoxycarbonyl-O-benzylserine
N-tert-Butyloxycarbonyl-O-benzyl-L-serine
NSC 334364
O-Benzyl-N-tert-butoxycarbonyl-L-serine
tert-Butoxycarbonyl-O-benzyl-L-serine
tert-Butoxycarbonyl-O-benzylserine
【EINECS(EC#)】
245-820-1
【Molecular Formula】
C15H21NO5 (Products with the same molecular formula)
【Molecular Weight】
295.33
【Inchi】
InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
【Canonical SMILES】
CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)O
【Isomers smiles】
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)O
【MOL File】
23680-31-1.mol

Chemical and Physical Properties

【Appearance】
Solid.
【Density】
1.174g/cm3
【Melting Point】
57-62℃
【Boiling Point】
456.2°Cat760mmHg
【Vapour】
4.07E-09mmHg at 25°C
【Refractive Index】
22 ° (C=2, EtOH)
【Flash Point】
229.7°C
【Alpha】
21.5 o (C=2, ETHANOL)
【Solubilities】
Insoluble in water and petroleum ether, soluble in ethyl acetate, acetic acid and ethanol
【Stability】
No data.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:295.33094 [g/mol]
Molecular Formula:C15H21NO5
XLogP3-AA:1.9
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:8
Tautomer Count:2
Exact Mass:295.141973
MonoIsotopic Mass:295.141973
Topological Polar Surface Area:84.9
Heavy Atom Count:21
Formal Charge:0
Complexity:345
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:145

Safety and Handling

【Hazard Codes】
Xn
【Risk Statements】
R20/21/22
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Safety】

Hazard Codes of?L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)- (CAS NO.23680-31-1):?HarmfulXn
Risk Statements: 20/21/22-36/37/38?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26?
S24/25: Avoid contact with skin and eyes.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
HazardClass: IRRITANT

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