Related Searches: L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-, L-Glutamine,N2-[(1,1-dimethylethoxy)carbonyl]-, L-Asparagine,N2-[(phenylmethoxy)carbonyl]-, L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, L-Serine,N-[(1,1-dimethylethoxy)carbonyl]-, View all

L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-(CAS No. 7536-55-2)

L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]- C9H16N2O5 (cas 7536-55-2) Molecular Structure

7536-55-2 Structure

Identification and Related Records

【Name】
L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-
【Iupac name】
(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic
acid
【CAS Registry number】
7536-55-2
【Synonyms】
Asparagine,N2-carboxy-, N2-tert-butyl ester, L- (7CI,8CI)
(2S)-2-((tert-Butoxycarbonyl)amino)-3-carbamoylpropanoicacid
BOC-Asparagine
N-(tert-Butoxycarbonyl)-L-asparagine
N-Boc-L-asparagine
N2-tert-Butoxycarbonyl-L-asparagine
NSC 154980
tert-Butoxycarbonyl-L-asparagine
tert-Butyloxycarbonyl-L-asparagine
Boc-Asn-OH
【EINECS(EC#)】
231-405-2
【Molecular Formula】
C9H16N2O5 (Products with the same molecular formula)
【Molecular Weight】
232.23
【Inchi】
InChI=1/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1
【Canonical SMILES】
CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O
【Isomers smiles】
CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)O
【MOL File】
7536-55-2.mol

Chemical and Physical Properties

【Appearance】
White to off-white crystalline powder
【Density】
1.253g/cm3
【Melting Point】
170-175℃
【Boiling Point】
481.7°C at 760 mmHg
【Refractive Index】
-7 ° (C=1, DMF)
【Flash Point】
245.1°C
【Solubilities】
Appearance:White to off-white crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated UN NO.
particular:particular
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:232.23374 [g/mol]
Molecular Formula:C9H16N2O5
XLogP3-AA:-0.6
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:6
Tautomer Count:6
Exact Mass:232.105922
MonoIsotopic Mass:232.105922
Topological Polar Surface Area:119
Heavy Atom Count:16
Formal Charge:0
Complexity:295
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:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:107

Safety and Handling

【Hazard Codes】
Not regulated UN NO.
【Risk Statements】
R20/21/22
【Safety Statements 】
S22;S24/25
【HazardClass】
IRRITANT
【Safety】

Hazard Codes:?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: 22-24/25-36-26?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT

【Transport】
OTH

Supplier Location

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Telephone:86-21-15301650010
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Business Type:Manufacturer
Telephone:86-21-60542966
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Genchem & Genpharm(Changzhou) CO., Ltd.
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Business Type:Manufacturer
Telephone:86-519-85720003
Raw materials

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