2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid, 95%

Name: 2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid
Brand: Chempure

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CAS Number

112525-72-1

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IUPAC name	3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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)
inchi key	NFVNYBJCJGKVQK-UHFFFAOYSA-N
molecular formula	C16H20N2O4
synonyms	112525-72-1 Boc-DL-Trp-OH 2-((tert-Butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoic acid Boc-DL-tryptophan N-TERT-BUTOXYCARBONYL-DL-TRYPTOPHAN

Computed Properties

Molecular Weight:	304.34 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	6
Exact Mass:	304.14230712 g/mol
Monoisotopic Mass:	304.14230712 g/mol
Topological Polar Surface Area:	91.4 Å²
Heavy Atom Count:	22
Formal Charge:	0
Complexity:	419
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (33.3%) Eye Irrit. 2A (33.3%) STOT SE 3 (33.3%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BA2659

2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid, 95%

Product No: BA2659

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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