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CAS 139-13-9 Nitrilotriacetic Acid molecular structure lightbox
CAS RN: 139-13-9

Nitrilotriacetic Acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250129 250g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250106 1kg In stock Inquiry
Batchno.20250502 250g In stock Inquiry
Batchno.20250512 5kg Out of stock Inquiry
  • Product code: SSC-049139
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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 139-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞98% 0 Out of Stock Hong Kong Inquiry

139-13-9 / 2-[bis(carboxymethyl)amino]acetic acid

Standard CAS: 139-13-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-13-9
Multi CAS
No
Molecular Formula
C6H9NO6
Molecular Weight
191.140000
Exact Mass
191.042987
SMILES
C(C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
MGFYIUFZLHCRTH-UHFFFAOYSA-N

Physical Properties

Melting Point
475 °F (decomposes) (NTP, 1992) 242 °C dec
Boiling Point
Solid decomposes (NTP, 1992)
Density
greater than 1 at 68 °F (USCG, 1999) GREATER THAN 1 AT 20 °C /SOLID/
Physical Description
Nitrilotriacetic acid is an odorless white solid. Sinks in and mixes with water. (USCG, 1999) Dry Powder White odorless solid; [CAMEO] Off-white odorless powder; WHITE CRYSTALLINE POWDER.
Appearance
Prismatic crystals from hot water White crystalline powder
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and keep it away from oxidizing materials. (NTP, 1992) Store in a refrigerator or in a cool, dry place. PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
39.35
TPSA
115.14

LogP / Solubility

WLOGP
-1.46
MLOGP
-1.28
XLogP3
-3.2
Consensus LogP
-1.98
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-4.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H351 (67%): Suspected of causing cancer [Warning Carcinogenicity] H302: Harmful if swallowed [Warning Acute toxicity, oral] H320: Causes eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P391, P405, and P501 P203, P260, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 P203, P280, P318, P405, and P501

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