3-(2-aminopyridin-1(2H)-yl)propanoic acid 5439-15-6 CAS NO.5439-15-6

Min.Order: 1 Gram
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Product Details

Keywords

3-(2-amino-2H-pyridin-1-yl)propanoic acid
5439-15-6
98%

Quick Details

ProName: 3-(2-aminopyridin-1(2H)-yl)propanoic a...
CasNo: 5439-15-6
Molecular Formula: C8H12N2O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
3-(2-aminopyridin-1(2H)-yl)propanoic acid
【Iupac name】
3-(2-aminopyridin-1-ium-1-yl)propanoate
【CAS Registry number】
5439-15-6
【Synonyms】
CHEMBL280173
NSC15064
NSC-15064
5439-15-6
【Molecular Formula】
C8H12N2O2 (Products with the same molecular formula)
【Molecular Weight】
168.1931
【Inchi】
InChI=1/C8H12N2O2/c9-7-3-1-2-5-10(7)6-4-8(11)12/h1-3,5,7H,4,6,9H2,(H,11,12)
【Canonical SMILES】
C1=CC=[N+](C(=C1)N)CCC(=O)[O-]
【MOL File】
5439-15-6.mol
Chemical and Physical Properties
【Density】
1.198g/cm3
【Boiling Point】
367.2°C at 760 mmHg
【Refractive Index】
1.552
【Flash Point】
175.9°C
【Computed Properties】
Molecular Weight:166.1772 [g/mol]
Molecular Formula:C8H10N2O2
XLogP3-AA:0.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:166.074228
MonoIsotopic Mass:166.074228
Topological Polar Surface Area:70
Heavy Atom Count:12
Formal Charge:0
Complexity:156
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 Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:9

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