N,N′-Diisopropylcarbodiimide

C₇H₁₄N₂CAS 693-13-0126.20 g/mol

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Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
Density: 0.806 g/mL (at 25 °C)
Melting point: 147 °C
Boiling point: 147 °C
logP: 1.98Crippen estimate
Polar surface area: 24.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation98.6% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage99.5% of notifiers
H330 Fatal if inhaled97.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H400 Very toxic to aquatic life13.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 217 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P391, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

693-13-0

SMILES

CC(C)N=C=NC(C)C

InChIKey

BDNKZNFMNDZQMI-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3

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Names and synonyms

13 names · show all

N,N'-Diisopropylcarbodiimide
2-Propanamine, N,N′-methanetetraylbis-
Carbodiimide, diisopropyl-
N,N′-Methanetetraylbis[2-propanamine]
Diisopropylcarbodiimide
1,3-Diisopropylcarbodiimide
DIC
DIPC
NSC 42080
DIPCDI
DIPCI
N,N′-Diisopropylmethanediimine
(Propan-2-yl)([[(propan-2-yl)imino]methylidene])amine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 693-13-0. Each row opens the sheet with its composition and PDF.

N,N`-Diisopropylcarbodiimide > 95 %Fisher Scientific Company · 2025-12-18

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Work with N,N′-Diisopropylcarbodiimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropyl isocyanate1795-48-853 % similar Isopropyl isothiocyanate2253-73-853 % similar N,N′-Dicyclohexylcarbodiimide538-75-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 1-Allylpiperazine13961-36-9 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 1,4-Diazobicylco[3.2.2]nonane283-38-5 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6

Elsewhere

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