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CAS 1939-36-2 1,3-Propanediamine-N,N,N’,N’-tetraacetic Acid molecular structure lightbox
CAS RN: 1939-36-2

1,3-Propanediamine-N,N,N’,N’-tetraacetic Acid

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Guangdong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250610 1kg Out of stock Inquiry
Batchno.20260129 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250409 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260329 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-091574
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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: 500g
  • Available purity: ≥98%
  • 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 1939-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

1939-36-2 / 2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid

Standard CAS: 1939-36-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1939-36-2
Multi CAS
No
Molecular Formula
C11H18N2O8
Molecular Weight
306.270000
Exact Mass
306.106316
SMILES
C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
DMQQXDPCRUGSQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.64
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
68.04
TPSA
155.68

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.47
XLogP3
-5.5
Consensus LogP
-2.88
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-5.78

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H361 (97.4%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 P264, P270, P301+P317, P330, and P501

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