Zami 1305

HCID 51665

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Basic information

CAS: 72620-20-3
Standard SMILES: Cc1cccc(OCC(O)CNC(C)(C)C)c1[N+](=O)[O-]
InChIKey: NQYPBNSEXJIHEM-UHFFFAOYSA-N
Molecular formula: C14H22N2O4
Average molar mass: 282.34 g/mol
Monoisotopic mass: 282.15795719

Overview

structure given in first source

Names & identifiers

Preferred name: Zami 1305
IUPAC: 1-(tert-butylamino)-3-(3-methyl-2-nitrophenoxy)propan-2-ol
English name: 1-(3-methyl-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol
Molecular formula: C14H22N2O4
Molecular weight: 0

Names & synonyms

Zami 130572620-20-3CA55MB68W32-PROPANOL, 1-((1,1-DIMETHYLETHYL)AMINO)-3-(3-METHYL-2-NITROPHENOXY)-ZAMI-13051-((1,1-Dimethylethyl)amino)-3-(3-methyl-2-nitrophenoxy)-2-propanol1-[(1,1-Dimethylethyl)amino]-3-(3-methyl-2-nitrophenoxy)-2-propanol2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-(3-methyl-2-nitrophenoxy)-RefChem:93448286166-58-7BRN 2468276DL-Zami 1305

Show more names

DL-ZAMI-13051-(3-methyl-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol

CCRIS 14071-(tert-butylamino)-3-(3-methyl-2-nitrophenoxy)propan-2-olDL-1-(2-Nitro-3-methylphenoxy)-3-tert-butylamino-propan-2-ol2-Propanol, 1-(tert-butylamino)-3-(3-methyl-2-nitrophenoxy)-, DL-(+-)-1-((1,1-Dimethylethyl)amino)-3-(3-methyl-2-nitrophenoxy)-2-propanolSCHEMBL3341975DTXSID809934812-Propanol, 1-((1,1-dimethylethyl)amino)-3-(3-methyl-2-nitrophenoxy)-, (+-)-

Database identifiers

CAS: 72620-20-3、86166-58-7

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 311

Physicochemical properties

Boiling point: 413.44 °C · 413.44°C (rough estimate)
Density: 1.1238 · 1.1238 (rough estimate)
refractive index: 1.543 · 1.5430 (estimate)
EWG's Food Scores: 1 · 1

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