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Home> Encyclopedia > Hot Product Listed L   > L-Asparticacid, N-[(phenylmethoxy)carbonyl]-
1152-61-0 structure

L-Asparticacid, N-[(phenylmethoxy)carbonyl]-

Iupac Name:(2S)-2-(phenylmethoxycarbonylamino)butanedioic acid
CAS No.:1152-61-0
EINECS(EC#): 214-568-4
Molecular Weight:267.237
Molecular Formula:C12H13NO6 (isomer)
Names and Identifiers
Synonyms

(2s)-2-(benzyloxycarbonylamino)butanedioic acid (s)-2-(((benzyloxy)carbonyl)amino)succinic acid (s)-2-(benzyloxycarbonylamino)succinic acid 56P9JC41T2 8278P AB0004777 AB1002652 AC-12399 AC-26239 AJ-30474 AN-48730 AS-12749 aspartic acid, n-(benzyloxy)carbonyl- aspartic acid, n-[(phenylmethoxy)carbonyl]- Aspartic acid, N-carboxy-, N-benzylester, L- (8CI) Asparticacid, N-carboxy-, N-benzyl ester (6CI,7CI) bdbm36137 Benzyloxycarbonyl-L-aspartic acid carbobenzoxy-l-aspartic acid Carbobenzoxy-L-asparticacid Cbz-Asp-OH cbz-l-asp CBZ-L-ASPARTIC ACID CHEMBL1222275 DTXSID9027368 J-300061 JSP001119 l-aspartic acid, n-[(phenylmethoxy)carbonyl]- M03043 MCULE-3490812898 mfcd00002719 MOLPORT-002-492-661 n-(benzyloxycarbonyl)-l-aspartic acid n-[(benzyloxy)carbonyl]-l-aspartic acid n-[(phenylmethoxy)carbonyl]-l-aspartic acid na-cbz-l-aspaitic acid n-benzyloxycarbonyl aspartic acid n-benzyloxycarbonylaspartic acid n-benzyloxycarbonyl-l aspartic acid n-benzyloxycarbonyl-l-aspartic acid N-Benzyloxylcarbonyl-L-aspartic acid n-carbobenzoxy-l-aspartic acid n-carbobenzyloxy-l-aspartic acid n-cbz aspartic acid n-cbz-l-aspaitic acid n-cbz-l-aspartic acid NCGC00248564-01 NSC 88479 NSC 9972 nx6 n-z-l-aspartic acid, 99% Q-101786 RP29520 RTR-002930 SC-09395 SCHEMBL613386 ST24050360 TR-002930 XYXYXSKSTZAEJW-VIFPVBQESA-N z-asp Z-ASPARTIC ACID z-asp-oh ZINC1700285 Z-L-ASPARTIC ACID Z-L-ASP-OH

Inchi
InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChkey
XYXYXSKSTZAEJW-VIFPVBQESA-N
Canonical Smiles
C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)O
Properties
Appearance
Almost white powder with lumps
Density
1.404 g/cm3
Melting Point
117-119℃
Boiling Point
472.8 °C at 760 mmHg
Vapour
9.58E-10mmHg at 25°C
Refractive Index
9.5 ° (C=7, AcOH)
Flash Point
239.7 °C
Alpha
10.5 o (C=1,ACOH)
Solubility
Very soluble
Stability
Stable under normal temperatures and pressures.
HS Code
29242990
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Hazard Note
H315; H319; H335
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:267.237g/mol
  • Molecular Formula:C12H13NO6
  • Compound Is Canonicalized:True
  • Exact Mass:267.074
  • Monoisotopic Mass:267.074
  • Complexity:337
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:113A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYwCILABgCI AiDSGAACAAAgAAAIiIGICIkKJjqAMTiMcAAm1gEYqAfDwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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