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3-Dimethylaminomethyl-aniline , CAS No.27958-77-6
Discover 3-Dimethylaminomethyl-aniline by Aladdin Scientific in for only $179.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Amino-N,N-dimethylbenzylamine | 27958-77-6 | 3-[(dimethylamino)methyl]aniline | 3-((Dimethylamino)methyl)aniline | 3-DIMETHYLAMINOMETHYL-ANILINE | 3-(dimethylaminomethyl)aniline | Benzenemethanamine, 3-amino-N,N-dimethyl- | MFCD00036095 | NSC-207809 | EINECS 248-747-3 | NS
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Aniline and substituted anilines Aralkylamines Trialkylamines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-[(dimethylamino)methyl]aniline
INCHI
InChI=1S/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3
InChIKey
WOJBIBHVUSZAGS-UHFFFAOYSA-N
Smiles
CN(C)CC1=CC(=CC=C1)N
Isomeric SMILES
CN(C)CC1=CC(=CC=C1)N
Molecular Weight
150.22
Reaxy-Rn
3238022
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3238022&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.220 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
150.116 Da
Monoisotopic Mass
150.116 Da
Topological Polar Surface Area
29.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
112.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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