propan-2-yl [3-(mor...

propan-2-yl [3-(morpholin-4-yl)propyl]carbamate 5327-36-6

propan-2-yl [3-(morpholin-4-yl)propyl]carbamate 5327-36-6

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propan-2-yl N-(3-morpholin-4-ylpropyl)carbamate 5327-36-6 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

Identification and Related Records
【Name】
propan-2-yl [3-(morpholin-4-yl)propyl]carbamate
【CAS Registry number】
5327-36-6
【Synonyms】
propan-2-yl[3-(morpholin-4-yl)propyl]carbamate
NSC3318
AC1L58VH
AC1Q5XY3
NSC-3318
AR-1L2029
propan-2-yl N-(3-morpholin-4-ylpropyl)carbamate
【Molecular Formula】
C11H22N2O3 (Products with the same molecular formula)
【Molecular Weight】
230.304
【Inchi】
InChI=1/C11H22N2O3/c1-10(2)16-11(14)12-4-3-5-13-6-8-15-9-7-13/h10H,3-9H2,1-2H3,(H,12,14)
【Canonical SMILES】
CC(C)OC(=O)NCCCN1CCOCC1
【MOL File】
5327-36-6.mol
Chemical and Physical Properties
【Density】
1.04g/cm3
【Boiling Point】
351.8°C at 760 mmHg
【Refractive Index】
1.467
【Flash Point】
166.5°C
【Computed Properties】
Molecular Weight:230.30398 [g/mol]
Molecular Formula:C11H22N2O3
XLogP3-AA:0.8
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:230.163043
MonoIsotopic Mass:230.163043
Topological Polar Surface Area:50.8
Heavy Atom Count:16
Formal Charge:0
Complexity:203
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:8.2
Conformer Sampling RMSD:0.8
CID Conformer Count:173

 

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