CAS RN: 1211514-64-5

1-(tetrahydrofuran-3-yl)hydrazine dihydrochloride

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  • Product code: starshine_CAS1211514-64-5
  • Purity/Analytical Methods: >99.0%
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1211514-64-5 / oxolan-3-ylhydrazine;dihydrochloride

(Oxolan-3-yl)hydrazine dihydrochloride | RefChem:406786 | 958-189-9

Standard CAS: 1211514-64-5 Multi CAS: No

Basic Information

CAS
1211514-64-5
Multi CAS
No
Molecular Formula
C4H12Cl2N2O
Molecular Weight
175.050000
Exact Mass
174.032668
SMILES
C1COCC1NN.Cl.Cl
InChI
InChI=1S/C4H10N2O.2ClH/c5-6-4-1-2-7-3-4;;/h4,6H,1-3,5H2;2*1H
InChIKey
SKLCZLKTRQROTN-UHFFFAOYSA-N
Synonyms
(Oxolan-3-yl)hydrazine dihydrochloride RefChem:406786 958-189-9 (tetrahydrofuran-3-yl)hydrazine dihydrochloride 1-(TETRAHYDROFURAN-3-YL)HYDRAZINE DIHYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.04
TPSA
47.28

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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