Chemical ID: 4122244

CNCC(COCC=C)O
Chemical ID:
4122244
Name [?]:
1-allyloxy-3-methylamino-propan-2-ol
SMILES [?]:
CNCC(COCC=C)O
InChi [?]:
InChI=1/C7H15NO2/c1-3-4-10-6-7(9)5-8-2/h3,7-9H,1,4-6H2,2H3
InChi Info:
AuxInfo=1/0/N:9,1,8,7,3,5,4,2,10,6/rA:10cCNCCCOCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.03195
Area:341.614
Solvation:-4.50841
Coulombic:-33.6187
Bond Count [?]
All:9
Single:8
Double:1
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:145.2
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.42
LogP (Chemaxon):0.0

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Experimental Annotations

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Descriptor Annotations

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