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N-Benzyl-2-methylpropan-1-amine - ≥95%, high purity , CAS No.42882-36-0

COA

Grade & Purity:

≥95%

Cas Number: 42882-36-0
EC Number: 877-406-7
PubChem CID: 211729

In stock

Item Number

N696344

Grouped product items
SKU	Size	Availability	Price	Qty
N696344-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,343.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-benzyl-2-methylpropan-1-amine
INCHI	InChI=1S/C11H17N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey	ZELJLECFTLYULH-UHFFFAOYSA-N
Smiles	CC(C)CNCC1=CC=CC=C1
Isomeric SMILES	CC(C)CNCC1=CC=CC=C1
Alternate CAS	42882-36-0
PubChem CID	211729

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	163.260 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	163.136 Da
Monoisotopic Mass	163.136 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	104.000
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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