2-(1,4-Diazepan-1-yl)ethan-1-ol

HCID 2736550
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Basic information

CAS
53427-65-9
Standard SMILES
OCCN1CCCNCC1
InChIKey
IXKNVDAHLCFGCV-UHFFFAOYSA-N
Molecular formula
C7H16N2O
Average molar mass
144.21 g/mol
Monoisotopic mass
144.12626313

Names & identifiers

Preferred name
2-(1,4-Diazepan-1-yl)ethan-1-ol
IUPAC
2-(1,4-diazepan-1-yl)ethanol
English name
2-(1,4-Diazepan-1-yl)ethan-1-ol
Molecular formula
C7H16N2O
Molecular weight
144.21

Names & synonyms

2-(1,4-diazepan-1-yl)ethan-1-olRefChem:450469690-011-22-(1,4-diazepan-1-yl)ethanol53427-65-9MFCD015658421-(2-Hydroxyethyl)homopiperazine2-(1,4-diazaperhydroepinyl)ethan-1-ol1-homopiperazineethanolSCHEMBL969503SCHEMBL1098861SCHEMBL1448524
Show more names
BUTTPARK 27\08-731-(2-Hydroxyethyl)-1,4-diazepane1H-1,4-Diazepine-1-ethanol, hexahydro-1-(2-Hydroxyethyl)homopiperazine, 2-(1,4-Diazepan-1-yl)ethan-1-ol
SCHEMBL112558532-[1,4]diazepan-1-yl-ethanolDTXSID10371435IXKNVDAHLCFGCV-UHFFFAOYSA-N1-(2-hydroxyethyl)-homopiperazine1-(2-hydroxyethyl)homo-piperazineSBB056234AKOS000138672

Database identifiers

CAS
53427-65-9
PubChem CID
2736550
DTXSID
DTXSID10371435
EC Number
690-011-2

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Boiling point
116 · 116-120°C
Density
1.1047 g/cm3 · 1.1047 g/cm3
storage temp.
2 · 2-8°C
pka
14.98 · 14.98±0.10(Predicted)
Symbol(GHS)
5 · GHS05
Signal word
Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr
3267
hs_code
2933998090
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi

Chemistry & industry

Suppliers28 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]

Related reactions

29 records
New reaction record

Compound notes

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