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Auramine O

CAS: 2465-27-2 | C17H22ClN3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 2465-27-2
Molecular Formula: C17H22ClN3
Molecular Weight: 303.83699999999993 g/mol

Names and Synonyms:

Auramine O
Benzenamine, 4,4′-carbonimidoylbis[N,N-dimethyl-, monohydrochloride
C.I. Basic Yellow 2
C.I. 41000
ADC Auramine O
Aizen Auramine
Aizen Auramine conc.SFA
Aizen Auramine OH
Auramine A1
Auramine N
Auramine O
Auramine Extra
Auramine Extra Conc. A
Auramine O Extra Conc. A Export
Auramine FA
Auramine hydrochloride
Auramine II
Auramine Lake Yellow O
Auramine ON
Auramine OO
Auramine OOO
Auramine OS
Auramine Pure
Auramine SP
Auramine Yellow
Calcozine Yellow OX
Mitsui Auramine O
Auramine
Auramine FWA
Auramine 0-100
Basic Yellow 2
Auramine chloride
Auramin
Basonyl Yellow 120
Arazine Yellow
Flexo Yellow 110
Aizen Auramine OW 100
Basic Light Yellow
Auramine Extra 0-125
Auramine Extra 0-100
Basic Flavine Yellow O
Basic Light Yellow O
Basic yellow O
Benzenamine, 4,4′-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1)
C.I. Basic Yellow 2, monohydrochloride

Identifiers:

SMILES:
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1.Cl
InChI:
InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 303.83699999999993 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 303.15022538399995 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 21 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 30.330000000000005 Ų RDKit

Physical Properties

Property Value Source
LogP 3.6565700000000025 RDKit
molecular_mass 303.84 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Auramine_O None Legacy Database
cas-canonical-smile Cl.N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C None Legacy Database
cas-inchi InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H None Legacy Database
cas-inchi-key InChIKey=KSCQDDRPFHTIRL-UHFFFAOYSA-N None Legacy Database
cas-melting-point >250 °C (decomp) None Legacy Database
cas-name C.I. Basic Yellow 2 None Legacy Database
wikipedia-name Auramine O None Legacy Database

Molar

Property Value Source
Molar Refractivity 94.71670000000003 RDKit

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