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1,3-Benzenedisulfonic acid,5-[[[[4-[ethyl(2-methoxyethyl)amino]phenyl]amino]carbonyl]oxy]- structure
1,3-Benzenedisulfonic acid,5-[[[[4-[ethyl(2-methoxyethyl)amino]phenyl]amino]carbonyl]oxy]- structure

1,3-Benzenedisulfonic acid,5-[[[[4-[ethyl(2-methoxyethyl)amino]phenyl]amino]carbonyl]oxy]-

Iupac Name:(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CAS No.:423165-07-5
Molecular Weight:234.34
1. Names and Identifiers
1.1 Name
1,3-Benzenedisulfonic acid,5-[[[[4-[ethyl(2-methoxyethyl)amino]phenyl]amino]carbonyl]oxy]-
1.2 CAS No.
423165-07-5
1.3 CID
11356762
1.4 Molecular Formula
C13H18N2O4S2 (isomer)
1.5 Inchi
InChI=1S/C13H22N4/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10/h8,10-12,14H,4-7H2,1-3H3/t10-,11+,12?
1.6 InChkey
CEIRCCADSFHOQD-FOSCPWQOSA-N
1.7 Canonical Smiles
CC1=NN=C(N1C2CC3CCC(C2)N3)C(C)C
1.8 Isomers Smiles
CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3)C(C)C
2. 3D Conformer
3. Properties
3.1 Melting Point
117 ºC
3.2 Refractive Index
1.678
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
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