Home Amines 113511-49-2
113511-49-2,MFCD06211985
Catalog No.:AA0008RL
113511-49-2 | 3-Amino-3-benzo[1,3]dioxol-5-yl-propan-1-ol hydrochloride
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250mg
in stock  
$172.00   $120.00
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500mg
in stock  
$306.00   $214.00
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1g
in stock  
$547.00   $383.00
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2.5g
in stock  
$1,199.00   $839.00
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5g
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$2,190.00   $1,533.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0008RL
Chemical Name:
3-Amino-3-benzo[1,3]dioxol-5-yl-propan-1-ol hydrochloride
CAS Number:
113511-49-2
Molecular Formula:
C10H14ClNO3
Molecular Weight:
231.6761
MDL Number:
MFCD06211985
IUPAC Name:
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
InChI:
InChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H
InChI Key:
LZIDAQCWYQPNBJ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccc2c(c1)OCO2)N.Cl
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.676g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
113511-49-2 
3-Amino-3-benzo[1,3]dioxol-5-yl-propan-1-ol hydrochloride 
3-Amino-3-benzo[1,3]dioxol-5-ylpropan-1-ol hydrochloride 
DTXSID80656549 
MFCD06211985 
AKOS025149346 
OR307625 
T6167 
1,3-Benzodioxole-5-propanol, gamma-amino-, hydrochloride (1:1) 
3-Amino-3-(2H-1,3-benzodioxol-5-yl)propan-1-ol--hydrogen chloride (1/1) 
LZIDAQCWYQPNBJ-UHFFFAOYSA-N 
Literature
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