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(4-ISOPROPYL-BENZYL)(TETRAHYDROFURAN-2-YL-METHYL)AMINE
CAS:
436096-82-1
MW:
233.355
MF:
C15H23NO
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
(4-ISOPROPYL-BENZYL)(TETRAHYDROFURAN-2-YL-METHYL)AMINE
1.2 Synonyms
(4-ISOPROPYL-BENZYL)(TETRAHYDROFURAN-2-YL-METHYL)AMINE; (4-Isopropylphenyl)-N-[(2S)-tetrahydro-2-furanylmethyl]methanaminium; 1-(4-ISOPROPYLPHENYL)-N-(TETRAHYDROFURAN-2-YLMETHYL)METHANAMINE; 1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine; 2-Furanmethanamine, tetrahydro-N-[[4-(1-methylethyl)phenyl]methyl]-; 2-Furanmethanaminium, tetrahydro-N-[[4-(1-methylethyl)phenyl]methyl]-, (2S)-; Tetrahydro-N-[[4-(1-methylethyl)phenyl]methyl]-2-furanmethanamine; ZERENEX E/6028036;
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1.3 CAS No.
436096-82-1
1.4 CID
3150965
1.5 Molecular Formula
C15H23NO
1.6 Inchi
InChI=1S/C15H23NO/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3
1.7 InChkey
MOLBNKNCTMSTFQ-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(C)C1=CC=C(C=C1)CNCC2CCCO2
1.9 Isomers Smiles
CC(C)C1=CC=C(C=C1)CNCC2CCCO2
2. 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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3. Computed Properties
Molecular Weight:
233.355g/mol
Molecular Formula:
C
15
H
23
NO
Compound Is Canonicalized:
True
Exact Mass:
2.8
XLogP3-AA:
233.177964357
Monoisotopic Mass:
233.177964357
Complexity:
209
Rotatable Bond Count:
5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
21.3
Heavy Atom Count::
17
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceByIAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAHgAQAAAADRThmAYyAILABACAAiBCAACCAAAgAAAIiIAIBIgKICKAkRGHIAhkkACYiAeQkMIOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==
4. Toltal 10 Suppliers
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Zerenex Molecular Limited
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5. Realated Product Infomation
ISOPROPYL-(4-METHYL-BENZYL)-AMINE
cas:70894-75-6
ISOPROPYL-(2-METHYL-BENZYL)-AMINE
cas:91338-98-6
ISOPROPYL-(3-METHYL-BENZYL)-AMINE
cas:915922-51-9
BENZYL-(4-ISOPROPYL-BENZYL)-AMINE
cas:346700-52-5
(4-ISOPROPYL-BENZYL)-(4-METHOXY-BENZYL)-AMINE
cas:436088-69-6
ISOPROPYL-(4-METHOXY-BENZYL)-AMINE
cas:70894-74-5
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Computational chemical data
4.
Toltal 10 Suppliers
5.
Realated Product Infomation
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