CAS 59260-76-3 rac-(1R,2R)-2-aminocyclopentan-1-ol (HCID 10464306)

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Basic information

CAS: 59260-76-3
Standard SMILES: N[C@@H]1CCC[C@H]1O
InChIKey: JFFOUICIRBXFRC-RFZPGFLSSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: rac-(1R,2R)-2-aminocyclopentan-1-ol
IUPAC: trans-(1R,2R)-2-aminocyclopentan-1-ol
English name: Cyclopentanol,2-amino-,(1R,2R)-(9CI)
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

rac-(1R,2R)-2-aminocyclopentan-1-olRefChem:872544815-935-7846-471-3(1R,2R)-2-Aminocyclopentanoltrans-2-aminocyclopentanol68327-03-759260-76-3(1R,2R)-2-aminocyclopentan-1-oltrans-2-Amino-cyclopentanolMFCD08669809Cyclopentanol, 2-amino-, (1R,2R)-

Show more names

(1R,2R)-2-aminocyclopentanol hclCyclopentanol,2-amino-,(1R,2R)-(9CI)

cyclopentane, 1-amino-2-hydroxy-Cyclopentanol, 2-amino-, (1R,2R)-rel-MFCD10568161trans 2-aminocyclopentanoltrans-2-aminocy-clopentanol(R,R)-2-aminocyclopentanoltrans-2- amino-cyclopentanolSCHEMBL553132

Database identifiers

CAS: 59260-76-3、68327-03-7
PubChem CID: 10464306
DTXSID: DTXSID60440241
ChEMBL: CHEMBL2375114
EC Number: 815-935-7、846-471-3
Nikkaji: J885.068B

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 65.1

Physicochemical properties

Boiling point: 179.4 · 179.4±33.0 °C(Predicted)
Density: 1.084 · 1.084±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.93 · 14.93±0.40(Predicted)
Appearance: yellow-brown liquid or semi-solid
InChI: InChI=1S/C5H11NO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1
InChIKey: JFFOUICIRBXFRC-RFZPGFLSSA-N
SMILES: [C@@H]1(O)CCC[C@H]1N
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H314-H410
Precautionary statements: 264 · P264-P270-P301+P312-P280-P330-P501-P303+P361+P353-P304+P340-P310-P305+P351+P338-P273-P391

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Corr. 1B (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
Hazard statements: H302-H314-H410
Precautionary statements: P264-P270-P301+P312-P280-P330-P501-P303+P361+P353-P304+P340-P310-P305+P351+P338-P273-P391