1-Piperazinebutanol,3-methyl-(CAS No. 5472-83-3)

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1 Gram	Negotiable

1 Gram

Negotiable

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Purity: 99%
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Keywords

1-Piperazinebutanol,3-methyl- 1-Piperazinebutanol,3-methyl-(CAS No. 5472-83-3) 5472-83-3

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Appearance:Solid
Application:Organic Chemicals
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Details:

Identification and Related Records
【Name】
1-Piperazinebutanol,3-methyl-
【CAS Registry number】
5472-83-3
【Synonyms】
NSC 29524
【Molecular Formula】
C9H20 N2 O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C9H20N2O/c1-9-8-11(6-4-10-9)5-2-3-7-12/h9-10,12H,2-8H2,1H3
【Canonical SMILES】
CC1CN(CCN1)CCCCO
【MOL File】
5472-83-3.mol
Chemical and Physical Properties
【Density】
0.948g/cm3
【Boiling Point】
281.3°C at 760 mmHg
【Refractive Index】
1.464
【Flash Point】
123.9°C
【Computed Properties】
Molecular Weight:172.2679 [g/mol]
Molecular Formula:C9H20N2O
XLogP3-AA:0.1
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:172.157563
MonoIsotopic Mass:172.157563
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Formal Charge:0
Complexity:119
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:1
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.6
CID Conformer Count:105

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