CAS
3230-65-7 Purity
97%
3230-65-7 Purity
97%
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1,2,3,4-Tetrahydroquinoline
CAS
635-46-1
Catalog Number
ACM635461
Category
Quinolines
Molecular Weight
133.194g/mol
Molecular Formula
C9H11N;
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Specification
Synonyms
51970-EP2286811A1; benzopiperidine; 1,2,3,4-Hydroquinoline; 15618-EP2316837A1; BBL027602; NCGC00188132-01; CHEBI:213323; 1,2,3,4 tetrahydroquinoline; TRA0087230; CJ-28881;
IUPAC Name
1,2,3,4-tetrahydroquinoline;
SMILES
C1CC2=CC=CC=C2NC1;
InChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2;
InChI Key
LBUJPTNKIBCYBY-UHFFFAOYSA-N;
Melting Point
20.0°C;
Storage
Room temperature.
Complexity
111
Covalently-Bonded Unit Count
1
EC Number
211-237-6
Exact Mass
133.089g/mol
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
10
Monoisotopic Mass
133.089g/mol
NSC Number
15311
Octanol Water Partition Coefficient
2.29 (LogP);
Topological Polar Surface Area
12A^2
UNII
CCR50N1Z9G
What is the molecular formula of 1,2,3,4-Tetrahydroquinoline?
The molecular formula of 1,2,3,4-Tetrahydroquinoline is C9H11N.
What is the molecular weight of 1,2,3,4-Tetrahydroquinoline?
The molecular weight of 1,2,3,4-Tetrahydroquinoline is 133.19 g/mol.
What is the IUPAC name of 1,2,3,4-Tetrahydroquinoline?
The IUPAC name of 1,2,3,4-Tetrahydroquinoline is 1,2,3,4-tetrahydroquinoline.
What is the canonical SMILES of 1,2,3,4-Tetrahydroquinoline?
The canonical SMILES of 1,2,3,4-Tetrahydroquinoline is C1CC2=CC=CC=C2NC1.
What is the InChIKey of 1,2,3,4-Tetrahydroquinoline?
The InChIKey of 1,2,3,4-Tetrahydroquinoline is LBUJPTNKIBCYBY-UHFFFAOYSA-N.
What is the CAS number of 1,2,3,4-Tetrahydroquinoline?
The CAS number of 1,2,3,4-Tetrahydroquinoline is 635-46-1.
What is the XLogP3 value of 1,2,3,4-Tetrahydroquinoline?
The XLogP3 value of 1,2,3,4-Tetrahydroquinoline is 2.3.
How many hydrogen bond donor counts does 1,2,3,4-Tetrahydroquinoline have?
1,2,3,4-Tetrahydroquinoline has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does 1,2,3,4-Tetrahydroquinoline have?
1,2,3,4-Tetrahydroquinoline has one hydrogen bond acceptor count.
How many rotatable bond counts does 1,2,3,4-Tetrahydroquinoline have?
1,2,3,4-Tetrahydroquinoline has zero rotatable bond count.
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