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3-(Aminomethyl)-N,N-dibenzyloxetan-3-amine - 95%, high purity , CAS No.1021392-84-6
Basic Description
Synonyms
3-(aminomethyl)-N,N-dibenzyloxetan-3-amine | 1021392-84-6 | 3-AMINOMETHYL-3-[BIS(PHENYLMETHYL)AMINO]OXETANE | MFCD19443904 | 3-OXETANEMETHANAMINE, 3-[BIS(PHENYLMETHYL)AMINO]- | SCHEMBL75651 | AMY9003 | DTXSID70725516 | ZPSXXTVNJOLCNF-UHFFFAOYSA-N | WQB39284 | AKOS015949450 | P
Specifications & Purity
≥95%
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 Aralkylamines Trialkylamines Oxetanes Oxacyclic compounds Dialkyl ethers Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Aralkylamine - Oxetane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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-(aminomethyl)-N,N-dibenzyloxetan-3-amine
INCHI
InChI=1S/C18H22N2O/c19-13-18(14-21-15-18)20(11-16-7-3-1-4-8-16)12-17-9-5-2-6-10-17/h1-10H,11-15,19H2
InChIKey
ZPSXXTVNJOLCNF-UHFFFAOYSA-N
Smiles
C1C(CO1)(CN)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Isomeric SMILES
C1C(CO1)(CN)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Molecular Weight
282.38
Reaxy-Rn
15651121
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15651121&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.400 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
282.173 Da
Monoisotopic Mass
282.173 Da
Topological Polar Surface Area
38.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
284.000
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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