6-Amino-1-hexanol

HCID 19960CAS 4048-33-3
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCCCCCO
InChIKey
SUTWPJHCRAITLU-UHFFFAOYSA-N
Molecular formula
C6H15NO
Average molar mass
117.19 g/mol
Monoisotopic mass
117.1153641

Names & identifiers

Preferred name
6-Amino-1-hexanol
IUPAC
6-aminohexan-1-ol
English name
6-Amino-1-hexanol
Molecular formula
C6H15NO
Molecular weight
117.19

Names & synonyms

6-Amino-1-hexanol6-Aminohexan-1-ol1-Hexanol, 6-amino-6-Hydroxyhexylamine6-AMINO-HEXAN-1-OLI5BY7TMO6CEINECS 223-748-16-Hydroxy-1-hexylamine6-hexanolamineBRN 1732524UNII-I5BY7TMO6CNH2(CH2)6OH
Show more names
6-AMINOHEXANOLH-ACP-OLH-AHX-OLH-ACP(6)-OLHexanolamineNH2-(CH2)6-OH
H2NCH2(CH2)4CH2OHDTXSID90752421-amino-6-hydroxyhexaneNSC-915384-04-00-01785 (Beilstein Handbook Reference)6-HYDROXY-1-HEXANAMINE6aminohexanol1Amino6hexanol

Database identifiers

CAS
4048-33-3
PubChem CID
19960
DTXSID
DTXSID9075242
UNII
I5BY7TMO6C
EC Number
223-748-1
Nikkaji
J80.733H

Properties

Computed structural properties

XLogP
0
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
Physical DescriptionBrown hygroscopic powder; [Acros Organics MSDS]

Physicochemical properties

Melting point
54 · 54-58 °C (lit.)
Boiling point
135 · 135-140 °C/30 mmHg (lit.)
Density
0.8872 · 0.8872 (estimate)
refractive index
1.4444 · 1.4444 (estimate)
Flash point
133 °C · 133 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Hexanol, 6-amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses respiratory depression and dermatitis in subcutaneous lethal-dose studies of mice (LDLo = 3,000 mg/kg); [RTECS] An irritant; [Acros Organics MSDS] See 5-Aminopentan-1-ol.
Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Safety data

F
3-10
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
MO8840000
hs_code
29221990
risk_code
36/37/38

Chemistry & industry

Applications · 3 items

Uses6-Amino-1-hexanol is used in the synthesis of guanidino analogs of roscovitine, which is a cyclin-dependant kinase. Also used in the preparation of tocotrienols which maintain anticancer, antiprolifer ative and antimigratory activity. Behery, F

Uses6-Amino-1-hexanol is used as pharmaceutical intermediate.

Uses6-Amino-1-hexanol can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

148 records
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Linked notes

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