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CAS 118-29-6 N-Hydroxymethylphthalimide molecular structure lightbox
CAS RN: 118-29-6

N-Hydroxymethylphthalimide

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260515 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251231 1kg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260605 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260225 500g In stock Shanghai, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-017847
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 5 In Stock Beijing Inquiry
100g ≥97% 5 In Stock Shenzhen Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

118-29-6 / 2-(hydroxymethyl)isoindole-1,3-dione

N-(Hydroxymethyl)phthalimide | N-Hydroxymethylphthalimide | Phthalimidomethyl alcohol

Standard CAS: 118-29-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118-29-6
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CO
InChI
InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
InChIKey
MNSGOOCAMMSKGI-UHFFFAOYSA-N
Synonyms
N-(Hydroxymethyl)phthalimide N-Hydroxymethylphthalimide Phthalimidomethyl alcohol Hydroxymethylphthalimide 2-(hydroxymethyl)isoindole-1,3-dione

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.03
TPSA
57.61

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
1.5
Consensus LogP
0.64
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.64

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (11.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (11.9%): 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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