Name: (S)-tert-Butyl (morpholin-3-ylmethyl)carbamate - ≥95% , CAS No.1257850-88-6
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Morpholines
Alternative Parents	Carbamate esters Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Morpholine - Carbamic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	216.280 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	216.147 Da
Monoisotopic Mass	216.147 Da
Topological Polar Surface Area	59.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC(C)(C)OC(=O)NCC1COCCN1
IUPAC Name	tert-butyl N-[[(3S)-morpholin-3-yl]methyl]carbamate
InChIKey	OTGAMPLHQAGRIU-QMMMGPOBSA-N
INCHI	1S/C10H20N2O3/c1-10(2,3)15-9(13)12-6-8-7-14-5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
Isómeros SMILES	CC(C)(C)OC(=O)NC[C@H]1COCCN1
PubChem CID	44182328
Peso molecular	216.28

(S)-tert-Butyl (morpholin-3-ylmethyl)carbamate - ≥95% , CAS No.1257850-88-6

Specifications