2-amino-2-[4-(hydro...

2-amino-2-[4-(hydroxymethyl)phenyl]acetic acid 52396-20-0

2-amino-2-[4-(hydroxymethyl)phenyl]acetic acid 52396-20-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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2-amino-2-[4-(hydroxymethyl)phenyl]acetic acid 52396-20-0 98%

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

Identification and Related Records
【Name】
amino[4-(hydroxymethyl)phenyl]acetic acid
【Iupac name】
2-amino-2-[4-(hydroxymethyl)phenyl]acetic acid
【CAS Registry number】
52396-20-0
【Synonyms】
NSC303001
AC1L70QW
AKOS006344401
NSC-303001
2-amino-2-[4-(hydroxymethyl)phenyl]acetic acid
52396-20-0
【Molecular Formula】
C9H11NO3 (Products with the same molecular formula)
【Molecular Weight】
181.1885
【Inchi】
InChI=1/C9H11NO3/c10-8(9(12)13)7-3-1-6(5-11)2-4-7/h1-4,8,11H,5,10H2,(H,12,13)
【Canonical SMILES】
C1=CC(=CC=C1CO)C(C(=O)O)N
【MOL File】
52396-20-0.mol
Chemical and Physical Properties
【Density】
1.34g/cm3
【Boiling Point】
389.4°C at 760 mmHg
【Refractive Index】
1.618
【Flash Point】
189.3°C
【Computed Properties】
Molecular Weight:181.18854 [g/mol]
Molecular Formula:C9H11NO3
XLogP3:-2.6
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:181.073893
MonoIsotopic Mass:181.073893
Topological Polar Surface Area:83.6
Heavy Atom Count:13
Formal Charge:0
Complexity:176
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:3
Feature 3D Donor Count:2
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:11

 

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