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Reference substances

Reference substances

IUPAC name:
2-(2-methoxyphenoxy)ethan-1-amine

Inventory

CAS number:
1836-62-0
Synonyms
Names:
2-(2-aminoethyloxy)anisole
2-(2-methoxyphenoxy)ethanamine
MFEA
Identifier:
CAS number
1836-62-0
Identifier:
EC number
606-000-2
Identifier:
IUPAC name
2-(2-Methoxyphenoxy)ethanamine
Identifier:
common name
MFA
Identifier:
other: UN number
2735
Identifier:
other: SMILES
COC1=C(OCCN)C=CC=C1
Identifier:
other: SMILES notation
COC1=C(OCCN)C=CC=C1
Identifier:
other: InChl
InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3 AuxInfo=1/0/N:12,10,9,8,7,1,2,6,5,3,11,4/rA:12CCNOCCCCCCOC/rB:s1;s1;s2;s4;d+5;s5;s6;d-7;d-8s9;s6;s11;/rC:.0168,-1.5141,0;1.3627,-2.2626,0;;1.3205,-3.8342,0;2.6651,-4.5828,0;2.6651,-6.1388,0;3.9518,-3.8173,0;4.0108,-6.8538,0;5.3061,-4.5996,0;5.3061,-6.1556,0;1.3627,-6.8958,0;1.4131,-8.4086,0;
2-(2-Methoxyphenoxy)ethylamine

Molecular and structural information

Molecular formula:
C9H13NO2
Molecular weight:
167.21
SMILES notation:
NCCOC1=CC=CC=C1OC
InChl:
InChI=1/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-14,11-16,12-16
Structural formula:
Chemical structure

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