Carbamic acid, 3-(N-(3'-hydroxypropyl)-N-(p-tolyl)amino)propyl ester, carbamate

HCID 29552

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Basic information

CAS: 19351-45-2
Standard SMILES: Cc1ccc(N(CCCOC(N)=O)CCCOC(N)=O)cc1
InChIKey: MULDUPLDVOLZSA-UHFFFAOYSA-N
Molecular formula: C15H23N3O4
Average molar mass: 309.36 g/mol
Monoisotopic mass: 309.16885622

Names & identifiers

Preferred name: Carbamic acid, 3-(N-(3'-hydroxypropyl)-N-(p-tolyl)amino)propyl ester, carbamate
IUPAC: 3-[N-(3-carbamoyloxypropyl)-4-methylanilino]propyl carbamate
English name: Dicarbamic acid (p-tolylimino)di(trimethylene) ester
Molecular formula: C15H23N3O4
Molecular weight: 309.36

Names & synonyms

p-Tolyl-N,N-dipropyl-3-dicarbamate19351-45-2IS 3247BRN 2891103p-Toluidin-N,N-dipropil-3-dicarbammato [Italian]p-Toluidin-N,N-dipropil-3-dicarbammato3,3'-(p-Tolylimino)di-1-propanol dicarbamate (ester)CARBAMIC ACID, 3-(N-(3'-HYDROXYPROPYL)-N-(p-TOLYL)AMINO)PROPYL ESTER, CARBAMATE1-Propanol, 3,3'-(p-tolylimino)di-, dicarbamate (ester)DTXSID40172957RefChem:332279DTXCID7095448

Show more names

1-Propanol, 3,3'-[(4-methylphenyl)imino]bis-, dicarbamate (ester) (9CI)

3-[N-(3-carbamoyloxypropyl)-4-methylanilino]propyl carbamateDicarbamic acid (p-tolylimino)di(trimethylene) ester[(4-Methylphenyl)azanediyl]di(propane-3,1-diyl) dicarbamate

Database identifiers

CAS: 19351-45-2
PubChem CID: 29552
DTXSID: DTXSID40172957

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 22
Formal charge: 0
Complexity: 322

Physicochemical properties

Boiling point: 570.113 · 570.113±40.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.203 · 1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 13.165 · 13.165±0.50(predicted)

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