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CAS 1033712-94-5 CIS-TETRAHYDROFURAN-3,4-DIAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 1033712-94-5

CIS-TETRAHYDROFURAN-3,4-DIAMINE DIHYDROCHLORIDE

  • Product code: SSC-004855
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1033712-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1033712-94-5 / (3R,4S)-oxolane-3,4-diamine;dihydrochloride

oxolane-3,4-diamine dihydrochloride | cis-oxolane-3,4-diamine dihydrochloride | C4H12Cl2N2O

Standard CAS: 1033712-94-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1033712-94-5
Multi CAS
Yes
Molecular Formula
C4H12Cl2N2O
Molecular Weight
175.050000
Exact Mass
174.032668
SMILES
C1[C@H]([C@H](CO1)N)N.Cl.Cl
InChI
InChI=1S/C4H10N2O.2ClH/c5-3-1-7-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4+;;
InChIKey
PJOPFTSMNUPXIB-NDXJVULZSA-N
Synonyms
oxolane-3,4-diamine dihydrochloride cis-oxolane-3,4-diamine dihydrochloride C4H12Cl2N2O trans-Tetrahydrofuran-3,4-diamine dihydrochloride SCHEMBL16655313

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.27
TPSA
61.27

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.43
XLogP3
-0.49
Consensus LogP
-0.47
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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

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