Name: Name:L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoaMino]-, (Hydrochloride) (1
Brand: Angene
SKU: AG00FC0T
Rating: 90 (10 reviews)

Catalog Number:

AG00FC0T

Chemical Name:

L-Phenylalanine, 4-[bis(2-chloroethyl)oxidoaMino]-, (Hydrochloride) (1

CAS Number:

685898-44-6

Molecular Formula:

C13H20Cl4N2O3

Molecular Weight:

394.1215

MDL Number:

MFCD11840749

IUPAC Name:

4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride

InChI:

InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1

InChI Key:

GIGCDIVNDFQKRA-LTCKWSDVSA-N

SMILES:

ClCC[N+](c1ccc(cc1)C[C@@H](C(=O)O)N)(CCCl)[O-].Cl.Cl

UNII:

T23U22X160

Complexity:

304

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

394.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

394.114g/mol

Monoisotopic Mass:

392.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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