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4-[(1R,2S)-rel-2-aminocyclopropyl]phenol - 97%, high purity , CAS No.104777-77-7
Discover 4-[(1R,2S)-rel-2-aminocyclopropyl]phenol by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Hydroxytranylcypromine | 104777-77-7 | 4-[(1S,2R)-2-aminocyclopropyl]phenol | rac-4-[(1r,2s)-2-aminocyclopropyl]phenol | 4-[trans-2-Aminocyclopropyl]phenol | 4-Hydroxyphenylcyclopropanamine | Phenol, 4-(2-aminocyclopropyl)-, trans- | SCHEMBL1524385 | DTXSID90909199 | HAD
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-2-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Aralkylamines Benzene and substituted derivatives Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
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
4-[(1S,2R)-2-aminocyclopropyl]phenol
INCHI
InChI=1S/C9H11NO/c10-9-5-8(9)6-1-3-7(11)4-2-6/h1-4,8-9,11H,5,10H2/t8-,9+/m0/s1
InChIKey
HADIWKXZWHXEDX-DTWKUNHWSA-N
Smiles
C1C(C1N)C2=CC=C(C=C2)O
Isomeric SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)O
PubChem CID
128670
Molecular Weight
149.193
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
149.190 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
149.084 Da
Monoisotopic Mass
149.084 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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