• ChemBase ID: 138119
• Molecular Formular: C184H432N62
• Molecular Mass: 3513.81428
• Monoisotopic Mass: 3511.57100213
• SMILES: C(CCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
• Canonical SMILES: NCCCN(CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCCN(CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
• InChI: InChI=1S/C184H432N62/c185-63-3-97-219(98-4-64-186)133-39-153-239(154-40-134-220(99-5-65-187)100-6-66-188)177-55-169-235(170-56-178-240(155-41-135-221(101-7-67-189)102-8-68-190)156-42-136-222(103-9-69-191)104-10-70-192)149-35-129-217(130-36-150-236(171-57-179-241(157-43-137-223(105-11-71-193)106-12-72-194)158-44-138-224(107-13-73-195)108-14-74-196)172-58-180-242(159-45-139-225(109-15-75-197)110-16-76-198)160-46-140-226(111-17-77-199)112-18-78-200)95-1-2-96-218(131-37-151-237(173-59-181-243(161-47-141-227(113-19-79-201)114-20-80-202)162-48-142-228(115-21-81-203)116-22-82-204)174-60-182-244(163-49-143-229(117-23-83-205)118-24-84-206)164-50-144-230(119-25-85-207)120-26-86-208)132-38-152-238(175-61-183-245(165-51-145-231(121-27-87-209)122-28-88-210)166-52-146-232(123-29-89-211)124-30-90-212)176-62-184-246(167-53-147-233(125-31-91-213)126-32-92-214)168-54-148-234(127-33-93-215)128-34-94-216/h1-216H2
• InChIKey: JMJXLZDCAGYLBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: DAB-Am-32, Polypropylenimine dotriacontaamine Dendrimer, Generation 4.0; DAB-AM-32，聚丙烯亚胺正三十二烷胺树枝状聚合物，4.0 代

Database IDs

• CAS Number: 163611-04-9
• MDL Number: MFCD00803092
• PubChem SID: 162232377
• PubChem CID: 3338043

CALCULATED PROPERTIES

• H Acceptors: 62
• H Donor: 32
• LogD (pH = 5.5): -48.527252
• LogD (pH = 7.4): -44.931213
• Log P: -20.597715
• Molar Refractivity: 1098.3696 cm^3
• Polarizability: 434.72943 Å^3
• Polar Surface Area: 929.84 Å^2
• Rotatable Bonds: 213
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol and water: soluble
• Flash Point: 113 °C; 235.4 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.518(lit.)
• Viscosity: 2.5 poise(50 °C)(lit.)
• Transition Temperature: Tg -87 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-27-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2735 8/PG 3

Product Information

• Mol. Weight: calculated mol wt 3,514
• Volume: 5,054 Å3
• Linear Formula: [-CH2CH2N[(CH2)3N[(CH2)3N[(CH2)3N[(CH2)3NH2]2]2]2]2]2

DETAILS

Sigma Aldrich - 469084

Legal Information
DSM product
Physical form
Contains 32 primary amino groups.