UCSF

ZINC86040406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2013 0 Yes

Popular Name: Hexamethylenetetramine Hexamethylenetetramine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-97-0 , 23304-08-7

Other Names:

"Hexamethylenetetramine, 99%"

1,3,5,7-Tetraaza-tricyclo3.3.1.13,7decane

1,3,5,7-Tetraazaadamantane

1,3,5,7-Tetraazaadamantane; 1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane; 1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 3,7))decane; 1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane; 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane; 1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~

1,3,5,7-Tetraazaadamantane;1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane;1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 3,7))decane;1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane;1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane;1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane

1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane; HMT; HMTA; Hexamethylentetramin; hexamethylenamine; hexamethylene tetramine; hexamethylenetetramine; hexamethylentetraminum; hexamine; hexaminum

1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decane

1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

100-97-0; D00393; Hexamine (JAN); Hexamine (TN); Methenamine (USP/INN)

100-97-0; Methenamine; Prestwick_79

2-Chloroethylphosphonic acid hexamethylenetetramine salt; LS-106512; Phosphonic acid, (2-chloroethyl)-, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane(1:1)

BAN

BT 3; BT 4; Formaldehyde, polymer with phenol and 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane; Formaldehyde, polymer with phenol and 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane; Formaldehyde, polymer with phenol and 1,3,5,7-tetrazatricyclo(3.3.1.1(3,7

FDA

Hexamethylenetetraamine

Hexamethylenetetramine, 98.5%, contains an anticaking agent

Hexamethylenetetramine, 99%

Hexamethylenetetramine, 99+%

Hexamethylenetetramine, ACS

Hexamethylenetetramine, ACS, 99+%

HEXAMETHYLENETETRAMINE-D12

Hexamine

Hexamine (JAN); Methenamine (INN

Hexamine (JAN); Methenamine (USP

INN); Methenamine Hippurate (FDA

LS-193545

metenamina; methenamine; methenaminum

Metenamine

Methenamine

Methenamine (Mandelamine)

Methenamine Hippurate (FDA

Methenamine-d12

MFCD00006895

MFCD03939448

N/A

Uritone; Urotropin

USAN

USAN)

USP

USP)

USP); Hexamine (JAN); Methenamine (INN

USP); Methenamine Hippurate (BAN

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

Vendor Notes

Note Type Comments Provided By
Mp [°C] 260 Acros Organics
MP 280 - 282 Enamine Building Blocks
MP 280...282 Enamine Building Blocks
Melting_Point 280? subl. Alfa-Aesar
Melting_Point 280° subl. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Target Antifection Selleck Chemicals
Melting_Point ca 280? subl. Alfa-Aesar
Melting_Point ca 280° subl. Alfa-Aesar
Patent Database Links EP0902016; EP0979820; EP1095939; EP1304328; EP1475381; EP1650198; EP1656938; EP1666471; EP1813605; EP1832285; EP1855295; EP1964543; EP1982689; US2004133043; US2004254182; US2005049226; US2005255065; US2007190179; US2007202077; US2007202177; US2008069920 ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H228: Flammable solid Acros Organics
UniProt Database Links HMT1_ARATH; HMT1_MAIZE; HMT1_METTH; HMT2_ARATH; HMT2_MAIZE; HMT2_METTH; HMT3_ARATH; HMT3_MAIZE; HMT4_MAIZE; HMTB_METTH; HNMTA_XENLA; HNMTB_XENLA; HNMT_BOVIN; HNMT_CAVPO; HNMT_DANRE; HNMT_HUMAN; HNMT_MOUSE; HNMT_PONAB; HNMT_RAT; HNMT_TETNG; HNMT_XENTR; MEN ChEBI
Target Others Selleck Chemicals
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P233: Keep container tightly closed Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; 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.; S37: Wear suitable gloves. Acros Organics

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

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