(R)-2-Aminohexan-1-ol

HCID 6994402

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Basic information

CAS: 80696-28-2
Standard SMILES: CCCC[C@@H](N)CO
InChIKey: DPEOTCPCYHSVTC-ZCFIWIBFSA-N
Molecular formula: C6H15NO
Average molar mass: 117.19 g/mol

Names & identifiers

Preferred name: (R)-2-Aminohexan-1-ol
IUPAC: (2R)-2-aminohexan-1-ol
English name: D-NORLEUCINOL
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

D-Norleucinol80696-28-2(R)-2-Aminohexan-1-ol(2R)-2-aminohexan-1-ol(R)-(-)-2-Amino-1-hexanol(R)-2-Amino-1-hexanolMFCD02683227(2R)-2-amino-1-hexanolD-Norleucinol,(R)-norleucinol1-Hexanol, 2-amino-, (2R)-(R)-(-)-2-aminohexanol

Show more names

H-D-Nle-OLD-Norleucinol,97%(R)-2-Amino-1-hexzanol

SCHEMBL2705159DPEOTCPCYHSVTC-ZCFIWIBFSA-N(2R)-2-amino-2-butyl-1-ethanolAKOS022182767FN50566GS-5504(R)-(-)-2-Amino-1-hexanol, 97%SY038512

Database identifiers

CAS: 80696-28-2
PubChem CID: 6994402
EC Number: 625-918-4
Nikkaji: J231.907A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 47.8

Physicochemical properties

Melting point: 40 · 40-44 °C(lit.)
Boiling point: 216 · 216-218 °C(lit.)
Density: 0.907 · 0.907±0.06 g/cm3(Predicted)
Flash point: 211 °F · 211 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: liquid
pka: 12.88 · 12.88±0.10(Predicted)
color: light brown slush
optical activity: 20 · [α]20/D 14°, c = 1 in chloroform
InChI: 1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m1/s1
InChIKey: DPEOTCPCYHSVTC-ZCFIWIBFSA-N
SMILES: CCCC[C@@H](N)CO
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29221985 · 29221985
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.