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4-(3-Chloropropyl)morpholine

CAT: 0572-TRC-C379750-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C379750-1GSize:1 g
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CAS Number
7357-67-7
Synonyms
Morpholine, 4-(3-chloropropyl)-; 4-(3-Chloropropyl)morpholine; 1-Chloro-3-morpholinopropane; 3-(Morpholin-4-yl)propyl chloride; 3-Chloro-1-(morpholin-4-yl)propane; 3-Morpholinopropyl chloride; N-(3-Chloropropyl)morpholine; NSC 28831; NSC 38889
Hazard Statement
Harmful if swallowed
Smiles
ClCCCN1CCOCC1
Molecular Formula
C7 H14 Cl N O
Molecular Weight
163.65
InChI
InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
Additionnal Information
IUPAC name: 4-(3-chloropropyl)morpholine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-(3-Chloropropyl)morpholine
CAS Number7357-67-7
PubChem CID95834
IUPAC Name4-(3-chloropropyl)morpholine
Molecular FormulaC7H14ClNO
Molecular Weight163.64
XLogP0.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity83
SMILES
C1COCCN1CCCCl
InChI
InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey
PIAZYBLGBSMNLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Chloropropyl)morpholine
CAS: 7357-67-7
CID: 95834
Formula: C7H14ClNO
MW: 163.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.64
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass163.0763918
Monoisotopic Mass163.0763918
Topological Polar Surface Area12.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity83.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes