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Home> Encyclopedia > Hot Product Listed N   > N-[(tert-Butoxy)carbonyl]-L-tryptophan
13139-14-5 structure

N-[(tert-Butoxy)carbonyl]-L-tryptophan

Iupac Name:(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CAS No.:13139-14-5
EINECS(EC#): 236-072-7
Molecular Weight:304.34
Molecular Formula:C16H20N2O4 (isomer)
Names and Identifiers
Synonyms

BOC-L-TRP BOC-L-TRYPTOPHANE BOC-TRP BOC-TRP-OH BOC-TRYPTOPHAN BOC-TRYPTOPHAN-OH H-TRP(BOC)-OH N-(TERT-BUTOXYCARBONYL)-L-TRYPTOPHANE n-[(1,1-dimethylethoxy)carbonyl]-l-tryptopha N-ALPHA-BOC-L-TRYPTOPHAN Nalpha-Boc-L-Tryptophane N-BOC-L-TRYPTOPHAN N-IN-T-BOC-L-TRYPTOPHAN N-T-BOC-L-TRYPTOPHAN N-T-BUTOXYCARBONYL-L-TRYPTOPHAN N-TERT-BUTOXYCARBONYL-L-TRYPTOPHAN

Inchi
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChkey
NFVNYBJCJGKVQK-ZDUSSCGKSA-N
Canonical Smiles
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
Isomers Smiles
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
Properties
Appearance
White to off-white crystalline powder
Density
1.1328 (rough estimate)
Melting Point
136 °C (dec.)(lit.)
Boiling Point
445.17°C (rough estimate)
Vapour
2.63E-12mmHg at 25°C
Refractive Index
-17.5 ° (C=2, DMF)
Flash Point
277.8 °C
Alpha
-20 o (C=1, METHANOL)
Solubility
Appearance:White to off-white crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated UN NO.
particular:particular
Color/Form
White to off-white
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
29339900
Storage temp
?20°C
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22-36/37/38
Safety Statements
22-24/25-36-26
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

Toxicity

1. ???

LD50/LC50: RTECS: Not available.

??? Nalpha-BOC-L-Tryptophane - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65

Transport
OTH
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:304.34g/mol
  • Molecular Formula:C16H20N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:304.142
  • Monoisotopic Mass:304.142
  • Complexity:419
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:91.4A^2
  • Heavy Atom Count:22
  • 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: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADGzBngQ+yPLJlgCo AzT3XACCgCAxAiAI2aG4ZJkKIPLAkbGMYAhklgDYyAeY2fKOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-21-61263399
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
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  • Tel:86-188-74586545
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