기본 정보
- CAS
68991-93-5- 표준 SMILES
CC(N)(CO)CO.CC(N)(CO)CO.Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(OP(=O)(O)O)cc2C)OC(=O)c2ccccc21- InChIKey
GDHFONOAOFSWQN-UHFFFAOYSA-N- 분자식
- C36H53N2O11P
- 평균 분자량
- 720.8 g/mol
- 단동위원소 질량
- 720.33869751
이름 및 식별자
- 우선 이름
- Einecs 273-657-6
- IUPAC
- bis(2-amino-2-methylpropane-1,3-diol);[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate
- 영어명
- Thymolphthalein monophosphoric acid, di-2-amino-2-methyl-1,3-propanediol salt
- 분자식
- C32H42NO9P
- 분자량
- 615.66
이름 및 동의어
68991-93-52-Amino-2-methylpropane-1,3-diol hemi(4-(1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)-2-isopropyl-5-methylphenyl phosphate)EINECS 273-657-6DTXSID90887640NS000909584-(3-(4-Hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolyl dihydrogen phosphate, compound with 2-amino-2-methylpropane-1,3-diol (1:2)4-{1-[4-Hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}-5-methyl-2-(propan-2-yl)phenyl dihydrogen phosphate--2-amino-2-methylpropane-1,3-diol (1/2)TMP, DI-AMPD SALT3-propanediol(1:2)Thymolphthalein monophosphoric acid, di-2-amino-2-methyl-1,3-propanediol saltTMP, di-AMPD salt Thymolphthalein monophosphoric acid, di-2-amino-2-methyl-1,3-propanediol salt4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl dihydrogen phosphate, compound with 2-amino-2-methylpropane-1,3-diol (1:2)
데이터베이스 식별자
- CAS
68991-93-5- PubChem CID
- 112224
- DTXSID
DTXSID90887640- EC Number
- 273-657-6
물성
구조 계산 물성
- 극성 표면적
- 246 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 891
물리화학적 성질
- EPA
- 1 · 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2) (68991-93-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, compd. with 2-amino-2-methyl-1,3-propanediol (1:2): INACTIVE
공급사1 곳
RESEARCH-ORG[email protected]
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