Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester

HCID 47211

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Basic information

CAS: 64059-09-2
Standard SMILES: Cc1ccccc1OCC(COC(C)C)OC(N)=O
InChIKey: DZJTUNPUCLMFDQ-UHFFFAOYSA-N
Molecular formula: C14H21NO4
Average molar mass: 267.32 g/mol
Monoisotopic mass: 267.14705815

Names & identifiers

Preferred name: Carbamic acid, (2-isopropoxy-1-(o-tolyloxy)methylethyl) ester
IUPAC: [1-(2-methylphenoxy)-3-propan-2-yloxypropan-2-yl] carbamate
English name: 1-Isopropoxy-3-(o-tolyloxy)-2-propanol carbamate
Molecular formula: C14H21NO4
Molecular weight: 267.32

Names & synonyms

1-Isopropoxy-3-(o-tolyloxy)-2-propanol carbamateBRN 336459064059-09-22-Propanol, 1-isopropoxy-3-(o-tolyloxy)-, carbamateCARBAMIC ACID, (2-ISOPROPOXY-1-(o-TOLYLOXY)METHYLETHYL) ESTER4-06-00-01955 (Beilstein Handbook Reference)RefChem:331954DTXSID90982528DB-3122141-(2-Methylphenoxy)-3-[(propan-2-yl)oxy]propan-2-yl hydrogen carbonimidate2-Propanol, 1-(1-methylethoxy)-3-(2-methylphenoxy)-, carbamate (9CI)

Database identifiers

CAS: 64059-09-2
PubChem CID: 47211
DTXSID: DTXSID90982528
Nikkaji: J67.620I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 270

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