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Chemical ID: 6730256

Chemical ID:

6730256

Name [?]:

2-[4-(4-aminophenyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethanol

SMILES [?]:

c1cc(ccc1N)[NH+]2CC[NH+](CC2)CCO

InChi [?]:

InChI=1/C12H19N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2/p+2

InChi Info:

AuxInfo=1/1/N:1,5,2,4,10,12,9,13,14,15,6,3,7,11,8,16/E:(1,2)(3,4)(5,6)(7,8)/rA:16nCCCCCCNN+CCN+CCCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;s10;s11;s8s12;s11;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₂₁N₃O+2
All Atoms:	37
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	-93.9466
Area:	408.491
Solvation:	-104.159
Coulombic:	80.4932

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	223.315
H-Bond Donors:	5
H-Bond Acceptors:	4
XLogP:	0.35
LogP (Chemaxon):	0.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value