UCSF

ZINC08585900

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 15 No

Other Names:

"N,N'-Dicyclohexylcarbodiimide, 99%"

1,3-dicyclohexylcarbodiimide

1,3-Dicyclohexylcarbodiimide; Acetic acid, cyano-, ethyl ester; Bis(cyclohexyl)carbodIImide; Carbodicyclohexylimide; CarbodIImide, dicyclohexyl-; CarbodIImide,dicyclohexyl; Cyclohexaamine, n,n'-methanetetraylbis-; Cyclohexaamine, N,N'-methanetetraylbis- (

1,3-Dicyclohexylcarbodiimide; AI3-08191; BRN 0610662; Bis(cyclohexyl)carbodiimide; Carbodicyclohexylimide; Carbodiimide, dicyclohexyl-; Cyclohexaamine, N,N'-methanetetraylbis-; Cyclohexanamine, N,N'-methanetetraylbis-; DCC; DCCD; DCCI; Dicyclohexylcarbodi

1,3-Dicyclohexylcarbodiimide; Bis(cyclohexyl)carbodiimide; Carbodicyclohexylimide; DCC; DCCD; DCCI; Dicyclohexylcarbodiimide; N,N'-dicyclohexylcarbodiimide; N,N'-methanetetraylbiscyclohexaamine

1,3-dicyclohexylcarbodiimide; CPD-10322; DCCD; N,N'-dicyclohexylcarbodiimide; carbodicyclohexylimide; carbodiimide, dicyclohexyl-; dicyclohexylcarbodiimide

DCC

Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide, 99%+

Kovac's complex

KOVAC'SCOMPLEX

MFCD00011659

MFCD00058388

N,N'-Dicyclohexylcarbodiimide (25% in Pyridine, ca. 1.2mol/L)

N,N'-Dicyclohexylcarbodiimide pentachlorophenol complex

N,N'-dicyclohexylcarbodiimide(DCC)

N,N'-Dicyclohexylcarbodiimide, 1M solution in dichloromethane, AcroSeal®

N,N'-Dicyclohexylcarbodiimide, 99%

N,N'-Dicyclohexylcarbodiimide; >98%

N,N'-Methanediylidenedicyclohexanamine

N,N-dichyclohexylcarbodiimide

N,N-Dicyclohexylcarbodiimide

N,N-dicyclohexylcarbodiimide(DCC)

N,N¡ä-Dicyclohexylcarbodiimide

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.92 9.16 -2.02 0 2 0 25 206.333 2

Vendor Notes

Note Type Comments Provided By
MP 33-35° Fluorochem
BP [°C] 122 - 124 (p=6 torr) Acros Organics
BP 122-124°/6mm Oakwood Chemical
Boiling_Point 154-156?/11mm Alfa-Aesar
Boiling_Point 154-156°/11mm Alfa-Aesar
Mp [°C] 33 - 35 Acros Organics
MP 33-35° Oakwood Chemical
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
Purity 98% Fluorochem
UniProt Database Links AKH_TABAT; CBLN4_HUMAN; CBLN4_MOUSE; CDA_MYROD; DCC_HUMAN; DCC_MOUSE; DCC_RAT; DP13A_HUMAN; DP13A_MOUSE; DP13B_HUMAN; DP13B_MOUSE; DSCAM_HUMAN; DSCAM_MOUSE; DSCAM_RAT; FAK1_CHICK; FAK1_HUMAN; FAK1_MOUSE; FAK1_RAT; HTF_TABAT; IGDC3_HUMAN; IGDC3_MOUSE; IGDC ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H318: Causes serious eye damage; H311: Toxic in contact with skin; H317: May cause an allergic skin reaction; H351: Suspected of causing cancer; H290: May be corrosive to metals Acros Organics
H phrase H310: Fatal in contact with skin; H302: Harmful if swallowed; H318: Causes serious eye damage; H317: May cause an allergic skin reaction Acros Organics
H phrase H311: Toxic in contact with skin Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse c Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R24: Toxic in contact with skin.; R40: Limited evidence of a carcinogenic effect.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
R phrase R22: Harmful if swallowed.; R24: Toxic in contact with skin.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice i Acros Organics
S phrase S24: Avoid contact with skin.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-8-O Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other Other 137 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 137 0.64 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.