sodiummethanolatemethyl 3-(aziridin-1-yl)propanoate3-nitroaniline

sodium;methanolate;methyl 3-(aziridin-1-yl)propanoate;3-nitroaniline

CAS: 99901-02-7

Molecular Formula	`C13H20N3NaO5`
Molecular Weight	321.3 g/mol
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	321.13007
Heavy Atoms	22
Complexity	244.0

Chemical Identifiers

CAS Number	99901-02-7
SMILES	`C[O-].COC(=O)CCN1CC1.C1=CC(=CC(=C1)[N+](=O)[O-])N.[Na+]`
InChIKey	`USYMQSMIXBPLTR-UHFFFAOYSA-N`

📖 Product Overview

sodiummethanolatemethyl 3-(aziridin-1-yl)propanoate3-nitroaniline (CAS: 99901-02-7) is a chemical compound with molecular formula C13H20N3NaO5 and molecular weight 321.3 g/mol. Its IUPAC systematic name is sodium;methanolate;methyl 3-(aziridin-1-yl)propanoate;3-nitroaniline. Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 321.13007 Heavy Atoms 22 Complexity 244.0 InChI Key: USYMQSMIXBPLTR-UHFFFAOYSA-N. SMILES: C[O-].COC(=O)CCN1CC1.C1=CC(=CC(=C1)[N+](=O)[O-])N.[Na+].

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