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CAS 10563-27-6 N,N’-Bis(2-Hydroxyethyl)propane-1,3-diamine molecular structure lightbox
CAS RN: 10563-27-6

N,N’-Bis(2-Hydroxyethyl)propane-1,3-diamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10563-27-6
  • Purity/Analytical Methods: >99.0%
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10563-27-6 / 2-[3-(2-hydroxyethylamino)propylamino]ethanol

2-({3-[(2-hydroxyethyl)amino]propyl}amino)ethan-1-ol | 2-((3-((2-hydroxyethyl)amino)propyl)amino)ethan-1-ol | RefChem:447993

Standard CAS: 10563-27-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10563-27-6
Multi CAS
No
Molecular Formula
C7H18N2O2
Molecular Weight
162.230000
Exact Mass
162.136828
SMILES
C(CNCCO)CNCCO
InChI
InChI=1S/C7H18N2O2/c10-6-4-8-2-1-3-9-5-7-11/h8-11H,1-7H2
InChIKey
XDSBMMZQOKZFQI-UHFFFAOYSA-N
Synonyms
2-({3-[(2-hydroxyethyl)amino]propyl}amino)ethan-1-ol 2-((3-((2-hydroxyethyl)amino)propyl)amino)ethan-1-ol RefChem:447993 827-003-7 2,2'-(Propane-1,3-diylbis(azanediyl))diethanol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
44.53
TPSA
64.52

LogP / Solubility

WLOGP
-1.46
MLOGP
-1.29
XLogP3
-1.5
Consensus LogP
-1.42
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.75

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

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